SCHEMBL9125087

SCHEMBL9125087

NC(=Nc1ccccc1)Nc1ncccc1OCc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPIA P62937 15/20 0.59
PPIF P30405 2/20 0.45
FURIN P09958 1/20 0.44
C5AR1 P21730 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLAU P00749 1/20 0.42

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
SCHEMBL9125077 0.95 PPIA (0.62) PPIAPPIFC5AR1PLAU
SCHEMBL2783284 0.92 PPIA (0.58) PPIAPPIF
SCHEMBL9122341 0.90 PPIA (0.51) PPIAPPIFFURINC5AR1
SCHEMBL9124791 0.89 NPC1 (0.51) PPIAPPIFC5AR1MEN1NPC1
SCHEMBL9128504 0.88 NPC1 (0.54) PPIAC5AR1NPC1RAB9A
SCHEMBL9124960 0.84 PPIA (0.47) PPIAPPIFMAPT
SCHEMBL9126615 0.84 PPIA (0.48) PPIAPPIFCYP2D6KMT2A
SCHEMBL9127376 0.84 PPIA (0.53) PPIAPPIFNPC1MAPTRAB9A
SCHEMBL9127905 0.83 PPIA (0.45) PPIAPPIF
SCHEMBL9126127 0.83 PPIA (0.45) PPIAPPIFMAPTRAB9AL3MBTL1

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