SCHEMBL9357577

SCHEMBL9357577

N=C(Nc1ccc(CC(F)(F)F)cc1)Nc1ncccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPIA P62937 20/20 0.60
PPIF P30405 1/20 0.51

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
SCHEMBL9126107 0.88 PPIA (0.77) PPIAPPIF
SCHEMBL2783281 0.87 PPIA (0.72) PPIAPPIF
SCHEMBL9125073 0.84 PPIA (0.75) PPIAPPIF
SCHEMBL9125085 0.82 PPIA (0.68) PPIAPPIF
SCHEMBL9125711 0.81 PPIA (0.60) PPIAPPIF
SCHEMBL9128497 0.81 PPIA (0.60) PPIAPPIF
SCHEMBL9125802 0.79 PPIA (0.58) PPIAPPIF
SCHEMBL9122331 0.77 PPIA (0.61) PPIAPPIF
SCHEMBL9124787 0.76 PPIA (0.60) PPIAPPIF
SCHEMBL9124984 0.75 PPIA (0.77) PPIAPPIF

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-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO disclosed