SCHEMBL3058488

SCHEMBL3058488

BrCc1cccc2c1sc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
ALOX5 P09917 1/20 0.41
CYP19A1 P11511 1/20 0.40
PARP14 Q460N5 1/20 0.39
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
ALDH1A1 P00352 4/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
LIMK1 P53667 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35

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
SCHEMBL1041268 0.86 CYP19A1 (0.56) GPR3CYP19A1MAPTRAB9AMEN1
SCHEMBL4018271 0.86 CYP1A2 (0.33)
SCHEMBL2957618 0.82 GPR3 (0.50) GPR3ALOX5CYP19A1PARP14MAPT
SCHEMBL5022689 0.81 GPR3 (0.48) GPR3ALOX5CYP19A1PARP14MAPT
SCHEMBL21465293 0.81 GPR3 (0.54) GPR3CYP19A1MAPTRAB9AMEN1
SCHEMBL16856052 0.81 CYP2A6 (0.48) GPR3ALOX5CYP19A1PARP14MAPT
SCHEMBL19768711 0.78 GPR3 (0.45) GPR3ALOX5CYP19A1PARP14MAPT
SCHEMBL14797947 0.78 GPR3 (0.45) GPR3ALOX5CYP19A1PARP14MAPT
SCHEMBL20047817 0.78 GPR3 (0.45) GPR3ALOX5CYP19A1MAPTMEN1
SCHEMBL12925246 0.78 ALDH1A1 (0.44) GPR3CYP19A1PARP14MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100221646-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA (JP) 2010-09-02 US disclosed