SCHEMBL4747503

SCHEMBL4747503

CCCS(=O)(=O)c1ccc(C=C(C)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 3/20 0.53
GSTO1 P78417 1/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 3/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 1/20 0.49
KCNQ1 P51787 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL4747498 1.00 LMNA (0.55) LMNASMN1; SMN2RAB9AKDM4EGSTO1
SCHEMBL4747496 1.00 LMNA (0.55) LMNASMN1; SMN2RAB9AKDM4EGSTO1
SCHEMBL4750364 0.87 LMNA (0.52) LMNASMN1; SMN2RAB9AKDM4EGSTO1
SCHEMBL4750368 0.87 LMNA (0.52) LMNASMN1; SMN2RAB9AKDM4EGSTO1
SCHEMBL4750362 0.87 LMNA (0.52) LMNASMN1; SMN2RAB9AKDM4EGSTO1
SCHEMBL4746958 0.85 PARP1 (0.60) LMNASMN1; SMN2RAB9AKDM4EGSTO1
SCHEMBL4746970 0.85 PARP1 (0.60) LMNASMN1; SMN2RAB9AKDM4EGSTO1
SCHEMBL4746956 0.85 PARP1 (0.60) LMNASMN1; SMN2RAB9AKDM4EGSTO1
SCHEMBL4750055 0.83 SMN1; SMN2 (0.56) LMNASMN1; SMN2RAB9AKDM4EGSTO1
SCHEMBL4750060 0.83 SMN1; SMN2 (0.56) LMNASMN1; SMN2RAB9AKDM4EGSTO1

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