SCHEMBL6498133

SCHEMBL6498133

Clc1[c]ccc(SCc2ccccc2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.39
HSD17B10 Q99714 1/20 0.38
PTPRC P08575 1/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 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
SCHEMBL6496437 0.74 RXFP1 (0.36) POLBMAPTPKMHSD17B10KMT2A
SCHEMBL6496406 0.74
SCHEMBL6498524 0.71 CA2 (0.33) MAPTL3MBTL1HSD17B10KMT2AALDH1A1
SCHEMBL30484939 0.70 POLB (0.52) POLBGAAMAPTPKML3MBTL1
SCHEMBL30634086 0.70 POLB (0.52) POLBGAAMAPTPKML3MBTL1
SCHEMBL17712199 0.70 POLB (0.47) POLBGAAMAPTPKML3MBTL1
SCHEMBL29509457 0.70 POLB (0.47) POLBGAAMAPTPKML3MBTL1
SCHEMBL21047951 0.70 POLB (0.52) POLBGAAMAPTPKML3MBTL1
SCHEMBL21048059 0.70 POLB (0.52) POLBGAAMAPTPKML3MBTL1
SCHEMBL1118636 0.70 POLB (0.52) POLBGAAMAPTPKML3MBTL1

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-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed