SCHEMBL21484979

SCHEMBL21484979

FC(F)(F)c1ccc(-c2ncc(-c3cncs3)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
CDK2 P24941 3/20 0.38
AKT1 P31749 3/20 0.38
CD38 P28907 1/20 0.38
SLC6A3 Q01959 2/20 0.38
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PRMT5 O14744 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
LTA4H P09960 1/20 0.35
GCK P35557 1/20 0.34
GCKR Q14397 1/20 0.34
PPARD Q03181 1/20 0.34
SNCA P37840 2/20 0.34

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
SCHEMBL18167775 0.89 KIF11 (0.45) KIF11CDK2AKT1HSD17B1HSD17B2
SCHEMBL30279827 0.84 HSD17B1 (0.49) KIF11CDK2AKT1HSD17B1HSD17B2
SCHEMBL10464166 0.82 TP53 (0.42) KIF11HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL13494529 0.81 MAPT (0.44) KIF11CDK2AKT1HSD17B1HSD17B2
SCHEMBL28311123 0.80 KIF11 (0.52) KIF11CD38SLC6A3LTA4H
SCHEMBL10630306 0.79 GCK (0.39) KIF11CDK2AKT1HSD17B1HSD17B2
SCHEMBL13191551 0.79 HSD17B1 (0.46) KIF11HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL8084594 0.77 XDH (0.57) KIF11CDK2AKT1HSD17B1HSD17B2
SCHEMBL9210563 0.76 KIF11 (0.42) KIF11CDK2AKT1PRMT5PPARD
SCHEMBL3057473 0.74 KIF11 (0.44) KIF11CDK2AKT1PRMT5PPARD

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
EP-3555929-A1 POLAR ELASTOMER MICROSTRUCTURES AND METHODS FOR FABRICATING SAME Corning Incorporated (US) 2019-10-23 EP disclosed