SCHEMBL9124740

SCHEMBL9124740

S=C(Nc1ccc(Cl)cc1)Nc1ncccc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPIA P62937 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
SGMS2 Q8NHU3 2/20 0.45
SGMS1 Q86VZ5 1/20 0.43
NOX1 Q9Y5S8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41

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
SCHEMBL9124294 0.92 PPIA (0.50) PPIASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9126866 0.92 PPIA (0.52) PPIASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9125551 0.89 PPIA (0.53) PPIASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9126341 0.87 PPIA (0.56) PPIASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9126321 0.87 SGMS2 (0.50) PPIASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9127894 0.86 PPIA (0.55) PPIASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL9123466 0.86 PPIA (0.50) PPIASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9126812 0.85 PPIA (0.52) PPIASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9126145 0.85 PPIA (0.75) PPIAALDH1A1MAPTMEN1KMT2A
SCHEMBL9128268 0.84 PPIA (0.51) PPIASMN1; SMN2ALDH1A1MAPTMEN1

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