SCHEMBL10697706

SCHEMBL10697706

Oc1cc(F)c(C(F)(F)F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.45
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
GPR3 P46089 1/20 0.36
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
KDM1A O60341 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MCL1 Q07820 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
GYS1 P13807 1/20 0.32

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
SCHEMBL30945180 0.90 KIF11 (0.45) KIF11CA3CA6CA5ACA9
SCHEMBL16179246 0.90 KIF11 (0.45) KIF11CA3CA6CA5ACA9
SCHEMBL15850523 0.84 KIF11 (0.44) KIF11GPR3KDM1A
SCHEMBL18893875 0.82 KIF11 (0.42) KIF11CA3CA6CA5ACA9
SCHEMBL31235141 0.79 KIF11 (0.37) KIF11CA3CA6CA5ACA9
SCHEMBL1027386 0.79 KIF11 (0.41) KIF11CA6CA5ACA9CA14
SCHEMBL319598 0.79 KIF11 (0.41) KIF11GPR3KDM1AMCL1PTPN7
SCHEMBL10698070 0.79 TMPRSS4 (0.39) KIF11CA3CA6CA5ACA9
SCHEMBL3990912 0.79 KIF11 (0.37) KIF11CA3CA6CA5ACA9
SCHEMBL8975074 0.78 KIF11 (0.41) KIF11GPR3KDM1A

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-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed