SCHEMBL9125346

SCHEMBL9125346

N=C(Nc1ccc(Cl)cc1)Nc1ncccc1OCc1cccc(Cl)c1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPIA P62937 11/20 0.50
SGMS2 Q8NHU3 4/20 0.49
PPIF P30405 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.38
RAB9A P51151 2/20 0.37
SGMS1 Q86VZ5 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9127445 0.90 PPIA (0.48) PPIASGMS2PPIFRAB9ANPC1
SCHEMBL9124958 0.89 PPIA (0.56) PPIASGMS2PPIFRAB9ASGMS1
SCHEMBL9123466 0.88 PPIA (0.50) PPIASGMS2PPIFRAB9AMAPT
SCHEMBL9127894 0.86 PPIA (0.55) PPIASGMS2PPIFRAB9ASGMS1
SCHEMBL9127827 0.85 PPIA (0.50) PPIASGMS2PPIFRAB9AALDH1A1
SCHEMBL9124032 0.84 PPIA (0.53) PPIASGMS2PPIFRAB9AMAPT
SCHEMBL9124706 0.83 PPIA (0.50) PPIASGMS2PPIF
SCHEMBL9126123 0.83 PPIA (0.54) PPIASGMS2RAB9ASGMS1NPC1
SCHEMBL9128706 0.83 PPIA (0.52) PPIASGMS2PPIFRAB9AMAPT
SCHEMBL9125073 0.80 PPIA (0.75) 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