SCHEMBL9124960

SCHEMBL9124960

NC(=Nc1ccc(Cl)cc1)Nc1ncccc1OCc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPIA P62937 6/20 0.47
SGMS2 Q8NHU3 3/20 0.43
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.40
PPIF P30405 1/20 0.40
SGMS1 Q86VZ5 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL9125354 0.90 SGMS2 (0.46) PPIASGMS2PPIFSGMS1KDM4E
SCHEMBL9126127 0.89 PPIA (0.45) PPIASGMS2MAPTPPIFSGMS1
SCHEMBL9127905 0.88 PPIA (0.45) PPIASGMS2PPIFSGMS1SIGMAR1
SCHEMBL9125077 0.87 PPIA (0.62) PPIAPPIF
SCHEMBL9125087 0.84 PPIA (0.59) PPIAMAPTPPIF
SCHEMBL9125719 0.84 PPIA (0.40) PPIASGMS2MAPTPPIFSGMS1
SCHEMBL9124709 0.83 PPIA (0.44) PPIAPPIFSIGMAR1
SCHEMBL9127446 0.83 SGMS2 (0.46) PPIASGMS2HPGDMAPTMAPK1
SCHEMBL9126615 0.82 PPIA (0.48) PPIASGMS2PPIFSGMS1SIGMAR1
SCHEMBL9124036 0.82 PPIF (0.48) PPIASGMS2PPIFSIGMAR1

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