SCHEMBL4741599

SCHEMBL4741599

CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)C=Cc1ccc(O)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAPT P10636 5/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PPARD Q03181 5/20 0.40
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL4741598 1.00 CXCL12 (0.42) CXCL12MKNK2MAPTKMT2AKDM4E
SCHEMBL2463947 0.90 MAPT (0.43) CXCL12MAPTKMT2AKDM4EMEN1
SCHEMBL4739677 0.85 PPARA (0.49) PPARDPPARAPPARGFFAR1
SCHEMBL4739674 0.85 PPARA (0.49) PPARDPPARAPPARGFFAR1
SCHEMBL14146386 0.83 PPARA (0.41) CXCL12MAPTKMT2AKDM4EMEN1
SCHEMBL4737346 0.80 MAPT (0.41) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4737342 0.80 MAPT (0.41) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4322487 0.80 RAB9A (0.44) MAPTKMT2AMEN1PPARDPPARA
SCHEMBL2464435 0.78 PPARD (0.44) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4741574 0.76 MAPT (0.56) CXCL12MAPTKMT2AKDM4EMEN1

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 1 patent. 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