SCHEMBL8548759

SCHEMBL8548759

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
CYP2C9 P11712 4/20 0.40
WDR5 P61964 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
ENGASE Q8NFI3 3/20 0.40
DDAH1 O94760 2/20 0.40
LMNA P02545 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
HPGD P15428 2/20 0.40
TBXA2R P21731 2/20 0.40
NPY1R P25929 2/20 0.40
ADORA1 P30542 2/20 0.40
OPRM1 P35372 2/20 0.40
HTR3A P46098 2/20 0.40
FASN P49327 2/20 0.40
SARM1 Q6SZW1 2/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
HTR1A P08908 1/20 0.40
IDE P14735 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
SCHEMBL8548748 0.98 KMT2A (0.40) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL8502645 0.96 ALDH1A1 (0.39) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL8503315 0.94 KMT2A (0.46) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL23988383 0.94 KMT2A (0.46) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL23988394 0.94 KMT2A (0.46) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL9026318 0.92 PDE3B (0.35) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL8504605 0.91 TLR8 (0.38) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL23988516 0.90 ATP4A (0.41) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL23988598 0.90 ATP4A (0.41) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL10480713 0.90 ATP4A (0.41) KMT2ACYP2C9WDR5ALDH1A1MAPT

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