SCHEMBL8548629

SCHEMBL8548629

COCCOc1ccnc(C[S+]([O-])c2nc3cc(C(F)(F)F)ccc3[nH]2)c1C.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP2C9 P11712 4/20 0.38
WDR5 P61964 4/20 0.38
HPGD P15428 4/20 0.38
ENGASE Q8NFI3 3/20 0.38
MAPT P10636 3/20 0.38
DDAH1 O94760 2/20 0.38
LMNA P02545 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TBXA2R P21731 2/20 0.38
NPY1R P25929 2/20 0.38
ADORA1 P30542 2/20 0.38
OPRM1 P35372 2/20 0.38
HTR3A P46098 2/20 0.38
FASN P49327 2/20 0.38
SARM1 Q6SZW1 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
HTR1A P08908 1/20 0.38
IDE P14735 1/20 0.38

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
SCHEMBL8548632 0.98 KMT2A (0.38) KMT2AALDH1A1CYP2C9WDR5HPGD
SCHEMBL8502925 0.96 KMT2A (0.37) KMT2AALDH1A1CYP2C9WDR5HPGD
SCHEMBL8503958 0.95 KMT2A (0.44) KMT2AALDH1A1CYP2C9WDR5HPGD
SCHEMBL8550415 0.91 CYP2C9 (0.36) KMT2AALDH1A1CYP2C9WDR5HPGD
SCHEMBL8500412 0.90 CYP2C9 (0.38) KMT2AALDH1A1CYP2C9WDR5HPGD
SCHEMBL5662759 0.90 ATP4A (0.42) KMT2AALDH1A1CYP2C9WDR5HPGD
SCHEMBL9026751 0.90 CYP2C9 (0.36) KMT2AALDH1A1CYP2C9WDR5HPGD
SCHEMBL6872754 0.89 CYP2C9 (0.48) KMT2AALDH1A1CYP2C9WDR5HPGD
SCHEMBL10335436 0.89 CYP2C9 (0.39) KMT2AALDH1A1CYP2C9WDR5HPGD
SCHEMBL9026374 0.88 CYP2C9 (0.35) KMT2AALDH1A1CYP2C9WDR5HPGD

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