SCHEMBL10701037

SCHEMBL10701037

CCOc1cc2nc(SCc3ccccc3N(CC)CC)[nH]c2cc1OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 7/20 0.48
CYP2C8 P10632 7/20 0.48
CYP2D6 P10635 7/20 0.48
CYP2C9 P11712 7/20 0.48
CYP2B6 P20813 7/20 0.48
CYP2C19 P33261 7/20 0.48
CYP3A4 P08684 6/20 0.48
CYP1A2 P05177 5/20 0.48
PTGS2 P35354 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL10699937 0.90 SMN1; SMN2 (0.46) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL10699503 0.90 PTGS2 (0.49) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL10700688 0.85 PTGS2 (0.52) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL10700237 0.84 PTGS2 (0.47) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL9678752 0.81 RAB9A (0.61) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL10701467 0.80 CYP2E1 (0.56) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL10703839 0.80 SMN1; SMN2 (0.46) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL10700028 0.80 PTGS2 (0.43) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL9678554 0.79 SMN1; SMN2 (0.58) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL10699314 0.79 SMN1; SMN2 (0.50) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6

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-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP claimed
EP-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP disclosed