SCHEMBL10700565

SCHEMBL10700565

COc1ccc2[nH]c([S+]([O-])Cc3cc(C(C)(C)C)ccc3N(C)C)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2E1 P05181 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2B6 P20813 2/20 0.37
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL6481712 0.91 CYP1A2 (0.35) CYP1A2CYP2C19CYP2E1CYP3A4CYP2C8
SCHEMBL10713992 0.87 CACNA1D (0.36) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL10699957 0.87 LMNA (0.37) CYP1A2CYP2C19CYP2E1CYP3A4CYP2C8
SCHEMBL6481789 0.87 ATP4A (0.36) CYP1A2CYP2C19CYP2E1CYP3A4CYP2C8
SCHEMBL6480755 0.85 PRMT5 (0.38) CYP1A2CYP2C19CYP2E1CYP2C8CYP2D6
SCHEMBL9675877 0.85 HDAC6 (0.41) CYP1A2CYP2C19CYP2D6LMNA
SCHEMBL10712255 0.84 ALDH1A1 (0.34) CYP1A2CYP2C19CYP2E1CYP3A4CYP2C8
SCHEMBL9395810 0.83 ATP4A (0.43) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL6481718 0.82 LMNA (0.43) CYP1A2CYP2C19CYP2E1CYP3A4CYP2C8
SCHEMBL10711681 0.82 CACNA1D (0.36) MAPTMEN1ALDH1A1KMT2ALMNA

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