SCHEMBL11158237

SCHEMBL11158237

COC(=O)c1cccc(-c2ccc(N)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.45
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 2/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SCN9A Q15858 4/20 0.44
FAAH O00519 1/20 0.44
CES1 P23141 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASP3 P42574 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
SCHEMBL483444 0.86 MAPT (0.56) SCN10AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1260197 0.85 ALDH1A1 (0.52) RAB9ASMN1; SMN2GAAFAAHCES1
SCHEMBL6439408 0.85 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL25002897 0.84 MAPT (0.58) SCN10AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11297183 0.84 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2SCN9A
SCHEMBL25002929 0.84 ADORA3 (0.52) SCN10AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23037197 0.83 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL29595815 0.83 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL28213723 0.83 IRAK4 (0.48) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3711274 0.81 MCL1 (0.55) MAPTSMN1; SMN2CYP1A2GAARECQL

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
EP-0034349-B1 NOVEL PYRIDINECARBOXAMIDE DERIVATIVES, A PROCESS FOR THE PREPARATION THEREOF, THE USE OF SAID DERIVATIVES AND A PHARMACEUTICAL COMPOSITION CONTAINING SAME Tanabe Seiyaku Co., Ltd. (JP) 1983-12-14 EP disclosed
US-4332809-A ANTIALLERGENS TANABE SEIYAKU CO., LTD. (JP) 1982-06-01 US disclosed
EP-0034349-A2 Novel pyridinecarboxamide derivatives, a process for the preparation thereof, the use of said derivatives and a pharmaceutical composition containing same Tanabe Seiyaku Co., Ltd. (JP) 1981-08-26 EP disclosed