SCHEMBL9769151

SCHEMBL9769151

Nc1cc(F)c(O)c(F)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
VRK1 Q99986 1/20 0.33

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
SCHEMBL9141412 0.78 KIF11 (0.31)
SCHEMBL3790406 0.75 VRK1 (0.34) VRK1
SCHEMBL9144287 0.74 KIF11 (0.31)
SCHEMBL9769391 0.73 HSD17B10 (0.39)
SCHEMBL17744393 0.72 AKR1B1 (0.30)
SCHEMBL14063423 0.71 TSHR (0.31)
SCHEMBL9503462 0.71 KIF11 (0.31)
SCHEMBL28577673 0.70 CA12 (0.36)
SCHEMBL25027697 0.70 THRB (0.36) VRK1
SCHEMBL30008043 0.70 THRB (0.36) VRK1

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-5068436-A Hydrogenation of halonitrobenzenes without dehalogenation E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-26 US disclosed