SCHEMBL5385654

SCHEMBL5385654

CCc1ccc(SC2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
DDB1 Q16531 2/20 0.47
CRBN Q96SW2 2/20 0.47
PTGIR P43119 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34

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
SCHEMBL23295277 0.81 MAOA (0.65) MAOAMAOBDDB1CRBNPTGIR
SCHEMBL26632615 0.81 MAOA (0.53) MAOAMAOBDDB1CRBNPTGIR
SCHEMBL507295 0.81 MAOA (0.53) MAOAMAOBDDB1CRBNPTGIR
SCHEMBL26632622 0.81 MAOA (0.53) MAOAMAOBDDB1CRBNPTGIR
SCHEMBL507543 0.81 MAOA (0.53) MAOAMAOBDDB1CRBNPTGIR
Bromide SCHEMBL26632596 0.79 MAOA (0.51) MAOAMAOBDDB1CRBNPTGIR
SCHEMBL31405196 0.79 MAOA (0.56) MAOAMAOBDDB1CRBNPTGIR
SCHEMBL2369246 0.78 MAOA (0.50) MAOAMAOBDDB1CRBNPTGIR
SCHEMBL17221461 0.78 MAOA (0.50) MAOAMAOBDDB1CRBNPTGIR
SCHEMBL5314475 0.78 MAOA (0.58) MAOAMAOBDDB1CRBNPTGIR

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
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed