SCHEMBL9527256

SCHEMBL9527256

Cc1cccnc1C[S+]([O-])c1nc2cc(OC(F)(F)CF)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.34
RUNX1 Q01196 4/20 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
SCHEMBL9527334 0.91 CBFB (0.40) CBFBRUNX1
SCHEMBL9527662 0.90 RUNX1 (0.33) CBFBRUNX1
SCHEMBL9527362 0.89 ATP4A (0.40) CBFBRUNX1
SCHEMBL9526251 0.87 ATP4A (0.38)
SCHEMBL9528109 0.85 CYP3A4 (0.40) CBFB
SCHEMBL9527113 0.84 ATP4A (0.44) RUNX1
SCHEMBL9531482 0.84 ATP4A (0.36) RUNX1
SCHEMBL10713063 0.82 KIF11 (0.39) CBFB
SCHEMBL9526730 0.82 BRS3 (0.41) CBFBRUNX1
SCHEMBL9530813 0.80 ATP4A (0.42) CBFBRUNX1

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-0134400-B1 FLUOROALKOXYSUBSTITUTED PYRIDYLMETHYLTHIO-(OR SULFINYL-)BENZIMIDAZOLES HAVING A SECRETOLYTIC ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1993-03-24 EP disclosed
US-4555518-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-11-26 US disclosed