SCHEMBL9678554

SCHEMBL9678554

COc1cc2nc(SCc3ccccc3N(C)C)[nH]c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
CYP2E1 P05181 7/20 0.47
CYP2C8 P10632 7/20 0.47
CYP2D6 P10635 7/20 0.47
CYP2C9 P11712 7/20 0.47
CYP2B6 P20813 7/20 0.47
CYP2C19 P33261 7/20 0.47
MAPT P10636 2/20 0.47
PTGS2 P35354 3/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
CYP3A4 P08684 6/20 0.45
CYP1A2 P05177 5/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44

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
SCHEMBL10699314 0.92 SMN1; SMN2 (0.50) SMN1; SMN2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL10710732 0.92 SMN1; SMN2 (0.50) SMN1; SMN2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL10701057 0.91 SMN1; SMN2 (0.54) SMN1; SMN2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL10697968 0.90 SMN1; SMN2 (0.53) SMN1; SMN2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL10699503 0.89 PTGS2 (0.49) SMN1; SMN2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL10698219 0.87 SMN1; SMN2 (0.49) SMN1; SMN2MAPTPRMT5WDR77NPC1
SCHEMBL10700869 0.86 PTGS2 (0.49) SMN1; SMN2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL9678318 0.85 SMN1; SMN2 (0.47) SMN1; SMN2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL10711880 0.85 CYP2E1 (0.55) SMN1; SMN2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL9677090 0.84 HRH4 (0.55) SMN1; SMN2CYP2E1CYP2C8CYP2D6CYP2C9

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
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 EP disclosed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 EP disclosed