SCHEMBL9927301

SCHEMBL9927301

Pc1cccc2sc3cccc(P)c3c12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
MAPK1 P28482 1/20 0.31
MCL1 Q07820 1/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
CYP3A4 P08684 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
PSMB8 P28062 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13864490 0.71 ALDH1A1 (0.50) GPR3MAPK1MCL1CA12CA9
SCHEMBL16572843 0.69 MAPK1 (0.53) MAPK1MCL1HPGDNPC1MAPT
SCHEMBL30729663 0.69 ALDH1A1 (0.56) GPR3MAPK1MCL1CA12CA9
SCHEMBL1293964 0.69 ALDH1A1 (0.56) GPR3MAPK1MCL1CA12CA9
SCHEMBL9927294 0.67 ALDH1A1 (0.53) MAPK1MCL1CYP3A4HPGDCYP1A2
SCHEMBL3875482 0.67 ALDH1A1 (0.41) GPR3CYP3A4HPGDNPC1MAPT
SCHEMBL4160573 0.67 GPR3 (0.39) GPR3MAPK1MCL1CA12CA9
SCHEMBL21234346 0.67 GPR3 (0.39) GPR3MAPK1MCL1CA12CA9
SCHEMBL4160566 0.67 GPR3 (0.39) GPR3MAPK1MCL1CA12CA9
SCHEMBL4160530 0.67 ALDH1A1 (0.43) GPR3CA9NPC1CYP1A2MAPT

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
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 US disclosed
EP-2463929-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL USING SAME Mitsubishi Chemical Corporation (JP) 2012-06-13 EP disclosed