SCHEMBL11248679

SCHEMBL11248679

CS(=O)(=O)c1ccc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.40
FADS1 O60427 1/20 0.40
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
KIF11 P52732 1/20 0.38
PTGS2 P35354 8/20 0.37
NPBWR1 P48145 1/20 0.35
PTGS1 P23219 2/20 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
SCHEMBL11252376 0.88 CRHR1 (0.37) SCDFADS1KIF11PTGS2NPBWR1
SCHEMBL11243182 0.87 EPAS1 (0.39)
SCHEMBL11247326 0.87 KIF11 (0.38) SCDFADS1KIF11PTGS2NPBWR1
SCHEMBL11246193 0.86 TEK (0.43) SCDPTGS2PTGS1
SCHEMBL11251818 0.83 KIF11 (0.35) SCDFADS1KIF11PTGS2PTGS1
SCHEMBL11251871 0.80 TBK1 (0.46) SCDKIF11PTGS2NPBWR1
SCHEMBL11250964 0.80 KIF11 (0.33) SCDFADS1KIF11PTGS2PTGS1
SCHEMBL11252262 0.79 PTGES (0.38) PIM1PIM2
SCHEMBL11241077 0.78 MPL (0.44) NPBWR1
SCHEMBL11253754 0.78 PTGS2 (0.34) KIF11PTGS2PTGS1

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-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed