SCHEMBL9123466

SCHEMBL9123466

Fc1c(Cl)cccc1COc1cccnc1NC(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPIA P62937 4/20 0.50
SGMS2 Q8NHU3 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PPIF P30405 2/20 0.41
ALOX12 P18054 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL9123692 0.91 PPIA (0.49) PPIASGMS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9126341 0.89 PPIA (0.56) PPIASGMS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9125346 0.88 PPIA (0.50) PPIASGMS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9125751 0.87 PPIA (0.54) PPIASGMS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9124740 0.86 PPIA (0.55) PPIASGMS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9124294 0.85 PPIA (0.50) PPIASGMS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9125551 0.84 PPIA (0.53) PPIASGMS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9125540 0.83 PPIA (0.50) PPIASMN1; SMN2ALDH1A1MAPTNCOA1
SCHEMBL9126340 0.83 PPIA (0.54) PPIASGMS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9126812 0.83 PPIA (0.52) PPIASMN1; SMN2ALDH1A1MAPTNCOA1

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