SCHEMBL11565385

SCHEMBL11565385

Fc1ccc(-c2nc(C(F)(F)F)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.74
PTGS1 P23219 2/20 0.74
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 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
SCHEMBL7845809 0.88 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7839874 0.88 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL214754 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7846292 0.86 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8297008 0.86 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL214771 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7847486 0.86 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL21113598 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL27605214 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL11565155 0.84 PTGS2 (0.56) PTGS2PTGS1KDM4ELMNAMAPT

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
US-4168315-A ANTICOAGULANTS THE UPJOHN COMPANY (US) 1979-09-18 US disclosed