SCHEMBL9602219

SCHEMBL9602219

CC(C)C(C)(C#N)NC(=O)c1nc2ccccc2cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 1/20 0.35
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10692023 0.81 SMN1; SMN2 (0.37) ALDH1A1KDM4EKMT2AHPGDLMNA
SCHEMBL10410572 0.81 IKBKB (0.40) ALDH1A1KDM4EKMT2AHPGDSMN1; SMN2
SCHEMBL9602976 0.78 KMT2A (0.45) ALDH1A1KDM4EKMT2AHPGDLMNA
SCHEMBL9154888 0.76 KDM4E (0.48) ALDH1A1KDM4EKMT2AHPGDLMNA
SCHEMBL14300893 0.76 SMN1; SMN2 (0.39) ALDH1A1KDM4EKMT2AHPGDSMN1; SMN2
SCHEMBL9602155 0.75 KDM4E (0.37) ALDH1A1KDM4EKMT2AHPGDLMNA
SCHEMBL10683157 0.75 SMN1; SMN2 (0.42) ALDH1A1KDM4EKMT2AHPGDLMNA
SCHEMBL3656469 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AHPGDSMN1; SMN2
SCHEMBL7213607 0.73 POLB (0.49) ALDH1A1KDM4EKMT2AHPGDLMNA
Water SCHEMBL10410161 0.72 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AHPGDLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184027-B1 PREPARATION OF SUBSTITUTED AND UNSUBSTITUTED 2-CARBAMOYL NICOTINIC AND 3-QUINOLINECARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1990-02-07 EP claimed
EP-0144595-B1 PREPARATION OF 2-CARBAMOYL NICOTINIC AND 3-QUINOLINE CARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1989-01-18 EP claimed
US-4782157-A FROM CORRESPONDING ANHYDRIDES AMERICAN CYANAMID CO. (US) 1988-11-01 US claimed
EP-0184027-A2 Preparation of substituted and unsubstituted 2-carbamoyl nicotinic and 3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1986-06-11 EP claimed
US-4562257-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1985-12-31 US claimed
EP-0144595-A1 Preparation of 2-carbamoyl nicotinic and 3-quinoline carboxylic acids AMERICAN CYANAMID COMPANY (US) 1985-06-19 EP claimed
EP-0205879-B1 PROCESS FOR THE PREPARATION OF HERBICIDAL 2-(4,4-DISUBSTITUTED 5-OXO-2-IMIDAZOLIN-2-YL)BENZOIC, NICOTINIC AND QUINOLINE-3-CARBOXYLIC ACIDS, ESTERS AND SALTS AMERICAN CYANAMID COMPANY (US) 1993-03-17 EP disclosed
EP-0184027-B1 PREPARATION OF SUBSTITUTED AND UNSUBSTITUTED 2-CARBAMOYL NICOTINIC AND 3-QUINOLINECARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1990-02-07 EP disclosed
EP-0095105-B1 PROCESS FOR THE PREPARATION OF 2-(5,5-DISUBSTITUTED-4-OXO-2-IMIDAZOLIN-2-YL)-NICOTINIC ACIDS, QUINOLINE-3-CARBOXYLIC ACIDS, AND BENZOIC ACIDS AMERICAN CYANAMID COMPANY (US) 1988-01-27 EP disclosed
US-4719303-A Preparation of substituted and unsubstituted 2-[(1-carbamoyl-1,2-dimethylpropyl)-carbamoyl]-3-quinolinecarboxylic, nicotinic and benzoic acids AMERICAN CYANAMID COMPANY (US) 1988-01-12 US disclosed
US-4709036-A Process for the preparation of herbicidal 2-(4,4-disubstituted-5-oxo-2-imidazolin-2-yl)benzoic, nicotinic and quinoline-3-carboxylic acids, esters and salts AMERICAN CYANAMID COMPANY (US) 1987-11-24 US disclosed
US-4658030-A BASE-CATALYZED CYCLIZATION OF SUBSTITUTED 2-CARBAMOYL NICOTINIC ACIDS, 3-QUINOLINECARBOXYLIC OR BENZOIC ACIDS, HERBICIDES AMERICAN CYANAMID COMPANY (US) 1987-04-14 US disclosed
EP-0205879-A2 Process for the preparation of herbicidal 2-(4,4-disubstituted 5-oxo-2-imidazolin-2-yl)benzoic, nicotinic and quinoline-3-carboxylic acids, esters and salts AMERICAN CYANAMID COMPANY (US) 1986-12-30 EP disclosed
EP-0184027-A2 Preparation of substituted and unsubstituted 2-carbamoyl nicotinic and 3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1986-06-11 EP disclosed
EP-0142718-A1 Preparation of substituted and unsubstituted 2-((1-carbamoyl-1,2-dimethylpropyl)-carbamoyl)-3-quinolinecarboxylic, nicotinic and benzoic acids AMERICAN CYANAMID COMPANY (US) 1985-05-29 EP disclosed
US-4518780-A BASE CATALYZED CYCLIZATION OF 2-CARBAMOYLNICOTINIC ACID, 3-QUIOLINECARBOXYLIC OR BENZOIL ACIDS AMERICAN CYANAMID COMPANY (US) 1985-05-21 US disclosed
WO-1983004253-A1 PROCESS FOR THE PREPARATION OF 2-(5,5-DISUBSTITUTED-4-OXO-2-IMIDAZOLIN-2-YL)-NICOTINIC, QUINOLINE-3-CARBOXYLIC AND BENZOIC ACIDS AMERICAN CYANAMID COMPANY (US) 1983-12-08 WO disclosed
EP-0095105-A2 Process for the preparation of 2-(5,5-disubstituted-4-oxo-2-imidazolin-2-yl)-nicotinic acids, quinoline-3-carboxylic acids, and benzoic acids AMERICAN CYANAMID COMPANY (US) 1983-11-30 EP disclosed