SCHEMBL8478795

SCHEMBL8478795

Cc1cccc2c3c(c(=O)[nH]c12)CCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
TSHR P16473 2/20 0.43
CHEK1 O14757 1/20 0.43
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALPG P10696 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
AHR P35869 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KIF11 P52732 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL8484334 0.82 HPGD (0.66) HPGDTSHRPARP1KDM4EPOLB
SCHEMBL7491844 0.76 KDM4E (0.48) HPGDPARP1KDM4ECYP1A2CYP2D6
SCHEMBL6783276 0.75 HPGD (0.60) HPGDPARP1KDM4ECYP1A2CYP2D6
SCHEMBL30273080 0.75 HPGD (0.60) HPGDPARP1KDM4ECYP1A2CYP2D6
SCHEMBL25607486 0.75 PARP1 (0.35) HPGDPARP1KDM4ECYP1A2CYP2D6
SCHEMBL14355033 0.74 TSHR (0.50) HPGDTSHRCHEK1KDM4EPOLB
SCHEMBL7484251 0.73 HPGD (0.45) HPGDPARP1KDM4ECYP1A2CYP2D6
SCHEMBL7486485 0.72 HPGD (0.43) HPGDPARP1KDM4ECYP1A2CYP2D6
SCHEMBL26596941 0.71 GPR17 (0.35) HPGDPARP1DAO
SCHEMBL31487035 0.71 GPR17 (0.35) HPGDPARP1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5914402-A Process for preparing 1-aryl-4-oxopyrrolo 3,2-c! quinoline derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-06-22 US disclosed
US-5807851-A MUSCLE RELAXANTS; NERVOUS SYSTEM DISORDERS EGIS GYOGYSZERGYAR RT. (HU) 1998-09-15 US disclosed
EP-0853622-A1 PROCESS FOR PREPARING 1-ARYL-4-OXOPYRROLO 3,2-c]QUINOLINE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-07-22 EP disclosed
WO-1997044342-A1 PROCESS FOR PREPARING 1-ARYL-4-OXOPYRROLO[3,2-c]QUINOLINE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-11-27 WO disclosed