SCHEMBL5301897

SCHEMBL5301897

COC(=O)c1ccsc1NC(=O)COc1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
TP53 P04637 2/20 0.56
MAPK10 P53779 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL5462183 0.87 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5065123 0.85 NPC1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4753018 0.81 ALDH1A1 (0.80) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL34468530 0.80 MAPT (0.59) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5296521 0.80 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4753019 0.79 ALDH1A1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4753012 0.78 KMT2A (0.63) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4749278 0.77 NPC1 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4752212 0.75 NPC1 (0.67) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL7930548 0.75 KMT2A (0.63) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed