SCHEMBL8475587

SCHEMBL8475587

Cc1csc(-c2c(C)noc2-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.46
BRD2 P25440 1/20 0.46
TDO2 P48775 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PTPN1 P18031 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
DUSP3 P51452 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6170950 0.88 BRD4 (0.50) BRD4BRD2TDO2ALDH1A1MAPT
SCHEMBL6167859 0.83 NPC1 (0.38) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL21105338 0.77 BRD4 (0.68) BRD4BRD2TDO2ALDH1A1MAPT
SCHEMBL6514118 0.74 LMNA (0.37) BRD4BRD2TDO2ALDH1A1MAPT
SCHEMBL72613 0.73 AR (0.43) SMN1; SMN2NPC1RAB9AHPGDLMNA
SCHEMBL6169678 0.71 PTGS2 (0.43) BRD4TDO2ALDH1A1MAPTNPC1
SCHEMBL6511644 0.69 BRD4 (0.56) BRD4BRD2TDO2ALDH1A1MAPT
SCHEMBL3751072 0.68 BRD4 (0.53) BRD4BRD2TDO2ALDH1A1MAPT
SCHEMBL6170416 0.67 PTGS1 (0.60) BRD4BRD2TDO2ALDH1A1MAPT
SCHEMBL8475581 0.67 BRD4 (0.53) BRD4BRD2TDO2ALDH1A1MAPT

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-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed