SCHEMBL9011885

SCHEMBL9011885

CN(C)c1ccccc1CSc1nccn1-c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.54
CYP1A2 P05177 4/20 0.54
CYP3A4 P08684 4/20 0.54
CYP2D6 P10635 4/20 0.54
CYP2C9 P11712 4/20 0.54
CYP2C19 P33261 4/20 0.54
ALOX15B O15296 3/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.39
MAPT P10636 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
SCHEMBL9012027 0.87 L3MBTL1 (0.70) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9802581 0.82 L3MBTL1 (0.60) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9012435 0.76 ELANE (0.53) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9012512 0.76 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9666041 0.74 CYP1A2 (0.46) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9803096 0.73 CYP1A2 (0.46) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24945135 0.71 L3MBTL1 (1.00) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9011888 0.70 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9665404 0.70 CYP1A2 (0.42) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9802423 0.70 CYP1A2 (0.42) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed