SCHEMBL4737342

SCHEMBL4737342

CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)/C=C/c1ccc(O)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
PPARG P37231 3/20 0.39
CYP1A1 P04798 4/20 0.37
CYP1B1 Q16678 4/20 0.37
DPP4 P27487 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL4737346 1.00 MAPT (0.41) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4740490 0.87 ALDH1A1 (0.52) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4740506 0.87 ALDH1A1 (0.52) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL2463947 0.81 MAPT (0.43) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4741599 0.80 CXCL12 (0.42) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4741598 0.80 CXCL12 (0.42) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4740775 0.78 MAPT (0.44) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4741589 0.77 ALDH1A1 (0.54) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4741587 0.77 ALDH1A1 (0.54) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4740739 0.77 ALDH1A1 (0.59) MAPTKMT2AMEN1ALDH1A1NPC1

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-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed
WO-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed