SCHEMBL8548899

SCHEMBL8548899

O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.82
EPHX2 P34913 1/20 0.60
BRAF P15056 1/20 0.50
GAA P10253 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
AR P10275 1/20 0.47

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
SCHEMBL7331309 0.92 F2 (0.77) F2EPHX2BRAFAR
Hydrochloric Acid SCHEMBL8542002 0.89 F2 (0.98) F2GAA
SCHEMBL8543078 0.89 F2 (1.00) F2
SCHEMBL8544231 0.88 F2 (1.00) F2GAA
Hydrochloric Acid SCHEMBL8543551 0.87 F2 (0.98) F2
SCHEMBL8544836 0.85 F2 (1.00) F2
SCHEMBL7359983 0.82 ROCK2 (0.62) F2EPHX2GAA
SCHEMBL7337386 0.82 F2 (1.00) F2
SCHEMBL8546386 0.82 F2 (0.73) F2EPHX2
SCHEMBL8547914 0.82 F2 (0.73) F2EPHX2

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-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed