SCHEMBL9127905

SCHEMBL9127905

NC(=Nc1ccc(Cl)cc1)Nc1ncccc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPIA P62937 7/20 0.45
SGMS2 Q8NHU3 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
PPIF P30405 1/20 0.40
SGMS1 Q86VZ5 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
MET P08581 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL9127446 0.93 SGMS2 (0.46) PPIASGMS2SIGMAR1PPIFSMN1; SMN2
SCHEMBL9126615 0.92 PPIA (0.48) PPIASGMS2SIGMAR1PPIFSGMS1
SCHEMBL9124036 0.89 PPIF (0.48) PPIASGMS2SIGMAR1PPIFALDH1A1
SCHEMBL9124960 0.88 PPIA (0.47) PPIASGMS2SIGMAR1PPIFSGMS1
SCHEMBL9129022 0.87 SGMS2 (0.46) PPIASGMS2PPIFSMN1; SMN2ALDH1A1
SCHEMBL9125354 0.86 SGMS2 (0.46) PPIASGMS2SIGMAR1PPIFSGMS1
SCHEMBL9128712 0.86 PPIA (0.43) PPIASGMS2SIGMAR1PPIFALDH1A1
SCHEMBL9125077 0.85 PPIA (0.62) PPIAPPIF
SCHEMBL9125102 0.85 PPIA (0.42) PPIASGMS2SIGMAR1PPIFSMN1; SMN2
SCHEMBL9126733 0.85 SGMS2 (0.48) PPIASGMS2PPIFSMN1; SMN2ALDH1A1

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