SCHEMBL9126127

SCHEMBL9126127

Cc1ccccc1COc1cccnc1NC(N)=Nc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPIA P62937 7/20 0.45
SGMS2 Q8NHU3 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SGMS1 Q86VZ5 1/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PPIF P30405 1/20 0.39
PLK1 P53350 2/20 0.37
GCK P35557 1/20 0.37
MAPT P10636 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
SCHEMBL9123653 0.91 SGMS2 (0.44) PPIASGMS2L3MBTL1HTTTDP1
SCHEMBL9125719 0.90 PPIA (0.40) PPIASGMS2L3MBTL1HTTNPSR1
SCHEMBL9124960 0.89 PPIA (0.47) PPIASGMS2SGMS1SIGMAR1PPIF
SCHEMBL9125077 0.85 PPIA (0.62) PPIAPPIF
SCHEMBL9125102 0.84 PPIA (0.42) PPIASGMS2L3MBTL1RAB9ASIGMAR1
SCHEMBL9122341 0.84 PPIA (0.51) PPIASIGMAR1PPIF
SCHEMBL9125354 0.84 SGMS2 (0.46) PPIASGMS2SGMS1SIGMAR1PPIF
SCHEMBL9125087 0.83 PPIA (0.59) PPIAL3MBTL1RAB9APPIFMAPT
SCHEMBL9127905 0.82 PPIA (0.45) PPIASGMS2SGMS1SIGMAR1PPIF
SCHEMBL9124709 0.82 PPIA (0.44) PPIASIGMAR1PPIF

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP claimed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO claimed
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