SCHEMBL9803096

SCHEMBL9803096

CN(C)c1ccccc1CSc1nccn1-c1ccc(N)cn1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALOX15B O15296 1/20 0.39
GAA P10253 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
SCHEMBL9802423 0.83 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9802530 0.81 LMNA (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9012027 0.80 L3MBTL1 (0.70) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9802581 0.78 L3MBTL1 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9803069 0.76
SCHEMBL9802799 0.76 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9012435 0.76 ELANE (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9666041 0.74 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9011885 0.73 L3MBTL1 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9012512 0.73 L3MBTL1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5053417-A Antiulcer agents TANABE SEIYAKU CO., LTD. (JP) 1991-10-01 US disclosed
US-5002945-A Antiulcer agents TANABE SEIYAKU CO. LTD. (JP) 1991-03-26 US disclosed
US-4996217-A Antiulcer agents TANABE SEIYAKU COMPANY, LTD. (JP) 1991-02-26 US disclosed
EP-0270091-A1 Imidazole derivatives, processes for the preparation of the same, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments of therapeutic value, and intermediates formed during said processes TANABE SEIYAKU CO., LTD. (JP) 1988-06-08 EP disclosed