SCHEMBL9029582

SCHEMBL9029582

O=c1cc(OS)c2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
TNKS2 Q9H2K2 2/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 9/20 0.55
ALDH1A1 P00352 7/20 0.55
HPGD P15428 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 6/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
ATM Q13315 1/20 0.45
F2 P00734 1/20 0.45
GRM5 P41594 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL31664571 0.81 TNKS2 (0.61) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL2799080 0.81 TNKS2 (0.61) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL2008835 0.79 HPGD (0.54) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL11380959 0.77 KDM4E (0.56) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL9232127 0.77 KDM4E (0.54) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL9029578 0.76 SLC22A6 (0.59) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL27445663 0.76 KDM4E (0.53) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL13429044 0.75 CYP1A2 (0.49) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL13429142 0.75 CYP1A2 (0.49) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL2796820 0.75 CTSV (0.56) CYP1A2TNKS2CYP2C19KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707569-A1 4-AMINO-2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-04-24 EP claimed
WO-1995000488-A1 4-AMINO-2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-01-05 WO claimed