SCHEMBL9675608

SCHEMBL9675608

Cc1cccc(N2C=NCC2)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOTUM Q6P988 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
AR P10275 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
MYC P01106 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB1 P08588 1/20 0.33

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
SCHEMBL11054895 0.74 KDM4E (0.42) L3MBTL1TDP1ALDH1A1KMT2ALMNA
SCHEMBL9382328 0.72 GAA (0.36) L3MBTL1TDP1ALDH1A1KMT2ALMNA
SCHEMBL9247305 0.72 MYC (0.51) L3MBTL1TDP1ALDH1A1KMT2ACYP3A4
SCHEMBL1586962 0.70 HCRTR1 (0.49) L3MBTL1TDP1NOTUMALDH1A1KMT2A
SCHEMBL355272 0.69 TDP1 (0.61) L3MBTL1TDP1NOTUMALDH1A1KMT2A
SCHEMBL3829315 0.69 KDM4E (0.46) L3MBTL1TDP1NOTUMALDH1A1KMT2A
SCHEMBL31590723 0.69 USP2 (0.43) L3MBTL1TDP1ALDH1A1KMT2ACYP3A4
SCHEMBL11366117 0.68 NPC1 (0.53) L3MBTL1ALDH1A1TSHRMAPTNPC1
SCHEMBL7673716 0.67 GAA (0.43) L3MBTL1TDP1ALDH1A1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL6113042 0.67 TDP1 (0.59) L3MBTL1TDP1NOTUMALDH1A1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0218048-B1 BUTENOIC ACID DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-29 EP disclosed
EP-0158000-B1 REGIO AND OPTICAL ISOMERS OF IMIDAZOLINYL TOLUIC ACIDS, ESTERS AND SALTS, THEIR METHOD OF PREPARATION AND THEIR USE AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1991-06-19 EP disclosed
EP-0142718-B1 PREPARATION OF SUBSTITUTED AND UNSUBSTITUTED 2-((1-CARBAMOYL-1,2-DIMETHYLPROPYL)-CARBAMOYL)-3-QUINOLINECARBOXYLIC, NICOTINIC AND BENZOIC ACIDS AMERICAN CYANAMID COMPANY (US) 1987-03-11 EP disclosed
EP-0158000-A1 Regio and optical isomers of imidazolinyl toluic acids, esters and salts, their method of preparation and their use as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-10-16 EP disclosed
EP-0158000-A1 Regio and optical isomers of imidazolinyl toluic acids, esters and salts, their method of preparation and their use as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-10-16 EP disclosed
EP-0158000-A1 Regio and optical isomers of imidazolinyl toluic acids, esters and salts, their method of preparation and their use as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-10-16 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
EP-0123830-A2 Novel process for the preparation of aminonitriles useful for the preparation of herbicides AMERICAN CYANAMID COMPANY (US) 1984-11-07 EP disclosed