SCHEMBL9602976

SCHEMBL9602976

CC(C)C(C)(C#N)NC(=O)c1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
APEX1 P27695 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL7213607 0.83 POLB (0.49) KMT2AALDH1A1KDM4EALOX15POLB
SCHEMBL9602219 0.78 ALDH1A1 (0.39) KMT2AALDH1A1KDM4EHTTMAPT
SCHEMBL14357551 0.76 ALDH1A1 (0.56) KMT2AAPEX1ALDH1A1KDM4EHTT
SCHEMBL29643318 0.76 ALDH1A1 (0.56) KMT2AAPEX1ALDH1A1KDM4EHTT
SCHEMBL10674576 0.75 ALDH1A1 (0.44) KMT2AAPEX1ALDH1A1KDM4ETAAR1
SCHEMBL7215966 0.73 KMT2A (0.46) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL11606529 0.73 ALDH1A1 (0.45) KMT2AAPEX1ALDH1A1KDM4ETAAR1
SCHEMBL7220101 0.73 HPGD (0.46) KMT2AALDH1A1HTTMAPTLMNA
SCHEMBL22566779 0.73 ALDH1A1 (0.52) KMT2AAPEX1ALDH1A1KDM4EHTT
SCHEMBL7214349 0.72 POLB (0.47) KMT2AALDH1A1KDM4EHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
US-4125727-A Method of preparing imidazoisoindolediones AMERICAN CYANAMID COMPANY (US) 1978-11-14 US disclosed
US-4110103-A Dihydroimidazoisoindolediones and the use thereof as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1978-08-29 US disclosed
US-4093441-A IMIDAZO ISOINDOLEDIONES AND OPTICALOR STEREO ISOMERS THEREOF AMERICAN CYANAMID COMPANY (US) 1978-06-06 US disclosed
US-4092147-A DIHYDROIMIAZO-ISOINDOLEDIONES AMERICAN CYANAMID COMPANY (US) 1978-05-30 US disclosed
US-4090860-A DIHYDROIMIDAZOISOINDOLEDIONE AMERICAN CYANAMID COMPANY (US) 1978-05-23 US disclosed
US-4067718-A IMIDAZO-ISOINDOLEDIONES OR THEIR DIHYDRO DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1978-01-10 US disclosed
US-4062671-A Imidazoisoindolediones, and the use thereof as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1977-12-13 US disclosed
US-4041045-A Dihydroimidaz oisoindolediones and the use thereof as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1977-08-09 US disclosed
US-4017510-A ENANTIOMORPHS AMERICAN CYANAMID COMPANY (US) 1977-04-12 US disclosed