SCHEMBL11566522

SCHEMBL11566522

Nc1cc(=O)[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.58
AR P10275 4/20 0.54
MAPT P10636 1/20 0.54
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
HSD17B10 Q99714 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
SCHEMBL2799584 0.80 MAPT (0.54) KIF11ARMAPTCA12CA9
SCHEMBL3495438 0.80 CA12 (0.55) KIF11ARMAPTCA12CA9
SCHEMBL29722177 0.80 MAPT (0.54) KIF11ARMAPTCA12CA9
SCHEMBL4595919 0.78 AR (0.49) KIF11AR
SCHEMBL8872828 0.78 MAPT (0.64) KIF11MAPTCA12CA9HSD17B10
SCHEMBL2797928 0.76 MAPT (0.54) KIF11ARMAPTCA12CA9
SCHEMBL19785406 0.76 KIF11 (0.81) KIF11MAPTCA12CA9
SCHEMBL24721656 0.74 KIF11 (0.55) KIF11MAPTCA12CA9HSD17B10
SCHEMBL29483390 0.74 TP53 (0.66) CA12CA9
SCHEMBL4135726 0.74 KIF11 (1.00) KIF11ARMAPT

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-4166853-A Antihypertensive 7-trifluoromethyl-4-aminoquinolones THE UPJOHN COMPANY (US) 1979-09-04 US disclosed