SCHEMBL9814427

SCHEMBL9814427

Nc1ccc(C(F)(F)F)c(OC(F)(F)C(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
TSHR P16473 3/20 0.46
POLB P06746 2/20 0.46
GLA P06280 1/20 0.46
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
KIF11 P52732 3/20 0.40
ALDH1A1 P00352 3/20 0.35
AR P10275 2/20 0.35
SRC P12931 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR9 Q9NR96 1/20 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
SCHEMBL11142948 0.87 GAA (0.52) GAATSHRPOLBGLAKDM4E
SCHEMBL9187870 0.81 TSHR (0.44) GAATSHRPOLBGLAKDM4E
SCHEMBL9367201 0.79 ALDH1A1 (0.42) GAATSHRPOLBGLAKDM4E
SCHEMBL9814418 0.79 KIF11 (0.40) POLBKDM4EMEN1KMT2AMAPT
SCHEMBL10498338 0.78 MAPT (0.46) GAATSHRPOLBGLAKDM4E
SCHEMBL9367884 0.77 KDM4E (0.45) GAATSHRPOLBKDM4EMEN1
SCHEMBL9447622 0.76 KDM4E (0.45) GAATSHRPOLBGLAKDM4E
Hydrochloric Acid SCHEMBL10497798 0.76 MAPT (0.45) GAATSHRPOLBGLAKDM4E
SCHEMBL10766283 0.76 TSHR (0.47) GAATSHRPOLBGLAKDM4E
SCHEMBL1013276 0.76 GAA (0.50) GAATSHRPOLBGLAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251013-B1 FLUORINE CONTAINING O-AMINOPHENOLS BAYER AG (DE) 1991-08-21 EP disclosed
EP-0251013-A2 Fluorine containing o-aminophenols BAYER AG (DE) 1988-01-07 EP disclosed