SCHEMBL4750846

SCHEMBL4750846

COc1ccc(-c2csc(NC(=O)/C=C\c3ccc(S(C)(=O)=O)cc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ PARP1 P09874 2/20 0.66
▸ GSTO1 P78417 1/20 0.62
▸ MAPK1 P28482 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ LMNA P02545 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ PTGS2 P35354 5/20 0.55
▸ GCK P35557 1/20 0.53
▸ KCNQ1 P51787 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51

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
SCHEMBL4750849 1.00 RAB9A (0.70) RAB9AKDM4EPARP1GSTO1MAPK1
SCHEMBL4750855 1.00 RAB9A (0.70) RAB9AKDM4EPARP1GSTO1MAPK1
SCHEMBL4749686 0.92 PARP1 (0.72) RAB9AKDM4EPARP1GSTO1MAPK1
SCHEMBL4749683 0.92 PARP1 (0.72) RAB9AKDM4EPARP1GSTO1MAPK1
SCHEMBL4749691 0.92 PARP1 (0.72) RAB9AKDM4EPARP1GSTO1MAPK1
SCHEMBL4750413 0.90 PARP1 (0.63) RAB9AKDM4EPARP1GSTO1MAPK1
SCHEMBL4750421 0.90 PARP1 (0.63) RAB9AKDM4EPARP1GSTO1MAPK1
SCHEMBL4750418 0.90 PARP1 (0.63) RAB9AKDM4EPARP1GSTO1MAPK1
SCHEMBL4750398 0.88 PARP1 (0.60) RAB9AKDM4EPARP1GSTO1MAPK1
SCHEMBL4747404 0.88 PARP1 (0.60) RAB9AKDM4EPARP1GSTO1MAPK1

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-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 — — WO claimed
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 — — WO disclosed
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