SCHEMBL10697968

SCHEMBL10697968

COc1cc2[nH]c(SCc3ccccc3N(C)C)nc2cc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
CYP2E1 P05181 6/20 0.43
CYP2C8 P10632 6/20 0.43
CYP2D6 P10635 6/20 0.43
CYP2C9 P11712 6/20 0.43
CYP2B6 P20813 6/20 0.43
CYP2C19 P33261 6/20 0.43
PTGS2 P35354 3/20 0.43
MAPT P10636 2/20 0.41
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 5/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 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
SCHEMBL9678554 0.90 SMN1; SMN2 (0.58) SMN1; SMN2PRMT5WDR77CYP2E1CYP2C8
SCHEMBL10701057 0.88 SMN1; SMN2 (0.54) SMN1; SMN2PRMT5WDR77CYP2E1CYP2C8
SCHEMBL10698219 0.84 SMN1; SMN2 (0.49) SMN1; SMN2PRMT5WDR77MAPTNPC1
SCHEMBL10699314 0.83 SMN1; SMN2 (0.50) SMN1; SMN2PRMT5WDR77CYP2E1CYP2C8
SCHEMBL10710732 0.83 SMN1; SMN2 (0.50) SMN1; SMN2PRMT5WDR77CYP2E1CYP2C8
SCHEMBL10699503 0.82 PTGS2 (0.49) SMN1; SMN2PRMT5WDR77CYP2E1CYP2C8
SCHEMBL10700126 0.81 SMN1; SMN2 (0.45) SMN1; SMN2PRMT5WDR77CYP2E1CYP2C8
SCHEMBL9678318 0.81 SMN1; SMN2 (0.47) SMN1; SMN2PRMT5WDR77CYP2E1CYP2C8
SCHEMBL10711880 0.81 CYP2E1 (0.55) SMN1; SMN2PRMT5WDR77CYP2E1CYP2C8
SCHEMBL10701393 0.81 SMN1; SMN2 (0.46) SMN1; SMN2PRMT5CYP2E1CYP2C8CYP2D6

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