SCHEMBL9301229

SCHEMBL9301229

CSc1cccc2sc3cccc(SC)c3c12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.35
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL24621377 0.82 GRM5 (0.34) CASP1HSD17B10SMN1; SMN2
SCHEMBL13864447 0.72 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL9305886 0.67 MEN1 (0.38) ALDH1A1HPGDKDM4ECYP3A4MAPT
SCHEMBL12109832 0.67 ATM (0.41) ALDH1A1HPGDKDM4ECYP3A4MAPT
SCHEMBL24498743 0.67 ICAM1 (0.38) GPR3ALDH1A1HPGDMAPTMAPK1
SCHEMBL4160530 0.67 ALDH1A1 (0.43) GPR3ALDH1A1CYP1A2MAPTTSHR
SCHEMBL27976133 0.67 GPR3 (0.52) GPR3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL24904974 0.67 ADRA2A (0.38) ALDH1A1HPGDKDM4EMAPTMAPK1
SCHEMBL812717 0.67 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL10448664 0.66 ALDH1A1 (0.60) ALDH1A1HPGDKDM4ECYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6065250-A None JP disclosed
JP-H0665250-A NOVEL DIBENZOPENTALENE DERIVATIVE AND ITS PRODUCTION WAKO PURE CHEM IND LTD 1994-03-08 JP disclosed
JP-H00665250-A 0001-01-01 JP disclosed