SCHEMBL8550337

SCHEMBL8550337

CCOCCOc1ccnc(C[S+]([O-])c2nc3cc(C)ccc3[nH]2)c1C.[Na]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.34
WDR5 P61964 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
ENGASE Q8NFI3 3/20 0.34
DDAH1 O94760 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
HPGD P15428 2/20 0.34
TBXA2R P21731 2/20 0.34
NPY1R P25929 2/20 0.34
ADORA1 P30542 2/20 0.34
OPRM1 P35372 2/20 0.34
HTR3A P46098 2/20 0.34
FASN P49327 2/20 0.34
SARM1 Q6SZW1 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
HTR1A P08908 1/20 0.34
IDE P14735 1/20 0.34

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
SCHEMBL8550333 0.98 CYP2C9 (0.34) CYP2C9WDR5KMT2ALMNAMAPT
SCHEMBL26762371 0.90 CYP2C9 (0.34) CYP2C9WDR5KMT2ALMNAMAPT
SCHEMBL9026318 0.90 PDE3B (0.35) CYP2C9WDR5KMT2ALMNAMAPT
SCHEMBL9025509 0.89 KMT2A (0.45) CYP2C9WDR5KMT2ALMNAMAPT
SCHEMBL9026751 0.88 CYP2C9 (0.36) CYP2C9WDR5KMT2ALMNAMAPT
SCHEMBL9026305 0.88 PDE3B (0.35) CYP2C9WDR5KMT2ALMNAMAPT
SCHEMBL6476745 0.87 KMT2A (0.46) CYP2C9WDR5KMT2ALMNAMAPT
SCHEMBL8550415 0.87 CYP2C9 (0.36) CYP2C9WDR5KMT2ALMNAMAPT
SCHEMBL8548236 0.87 CYP2C9 (0.47) CYP2C9WDR5KMT2ALMNAMAPT
SCHEMBL9025491 0.87 KMT2A (0.45) CYP2C9WDR5KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708013-A BENZIMIDAZOLESULFOXIDE DERIVATIVES EISAI CO., LTD. (JP) 1998-01-13 US disclosed
EP-0295603-B1 Benzimidazol derivatives and therapeutic agent for ulcer comprising the same EISAI CO LTD (JP) 1996-09-18 EP disclosed
EP-0295603-A1 Benzimidazol derivatives and therapeutic agent for ulcer comprising the same Eisai Co., Ltd. (JP) 1988-12-21 EP disclosed