SCHEMBL9125077

SCHEMBL9125077

NC(=Nc1ccc(Cl)cc1)Nc1ncccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPIA P62937 15/20 0.62
PPIF P30405 2/20 0.48
C5AR1 P21730 1/20 0.45
LTA4H P09960 1/20 0.45
MAPK14 Q16539 1/20 0.45
PLAU P00749 1/20 0.45

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
SCHEMBL9125087 0.95 PPIA (0.59) PPIAPPIFC5AR1PLAU
SCHEMBL2783284 0.92 PPIA (0.58) PPIAPPIFLTA4HMAPK14
SCHEMBL9122341 0.90 PPIA (0.51) PPIAPPIFC5AR1
SCHEMBL9124791 0.89 NPC1 (0.51) PPIAPPIFC5AR1
SCHEMBL9127376 0.88 PPIA (0.53) PPIAPPIF
SCHEMBL9124960 0.87 PPIA (0.47) PPIAPPIF
SCHEMBL9125727 0.86 PPIA (0.56) PPIAPPIF
SCHEMBL9126116 0.86 PPIA (0.64) PPIAPPIFLTA4HMAPK14
SCHEMBL9127905 0.85 PPIA (0.45) PPIAPPIF
SCHEMBL9126127 0.85 PPIA (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 US disclosed
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