SCHEMBL9026318

SCHEMBL9026318

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
CYP2C9 P11712 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
WDR5 P61964 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
ADRA2B P18089 2/20 0.35
ACHE P22303 2/20 0.35
SLC6A2 P23975 2/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
DDAH1 O94760 1/20 0.35
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
IDE P14735 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL9026305 0.98 PDE3B (0.35) PDE3BPDE3AP2RY12CYP2C9KMT2A
SCHEMBL8502645 0.92 ALDH1A1 (0.39) CYP2C9KMT2AALDH1A1WDR5MAPT
SCHEMBL8548759 0.92 KMT2A (0.40) CYP2C9KMT2AALDH1A1WDR5MAPT
SCHEMBL23988379 0.91 ATP1A1 (0.35) CYP2C9KMT2AALDH1A1WDR5MAPT
SCHEMBL8550337 0.90 CYP2C9 (0.34) PDE3BPDE3AP2RY12CYP2C9KMT2A
SCHEMBL8548748 0.90 KMT2A (0.40) CYP2C9KMT2AALDH1A1WDR5MAPT
SCHEMBL23988383 0.88 KMT2A (0.46) CYP2C9KMT2AALDH1A1WDR5MAPT
SCHEMBL8550333 0.88 CYP2C9 (0.34) PDE3BPDE3AP2RY12CYP2C9KMT2A
SCHEMBL8504605 0.88 TLR8 (0.38) PDE3BPDE3AP2RY12CYP2C9KMT2A
SCHEMBL23988394 0.88 KMT2A (0.46) CYP2C9KMT2AALDH1A1WDR5MAPT

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-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