SCHEMBL10369489

SCHEMBL10369489

COc1c(OCc2ccccc2)cnc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OC(F)C(F)(F)O4)c1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 6/20 0.43
ATP4B P51164 6/20 0.43
ATP1A1 P05023 3/20 0.34
ATP1B1 P05026 3/20 0.34
ATP1A3 P13637 3/20 0.34
ATP1B2 P14415 3/20 0.34
ATP1A2 P50993 3/20 0.34
ATP1B3 P54709 3/20 0.34
FXYD2 P54710 3/20 0.34
ATP1A4 Q13733 3/20 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
SCHEMBL10374514 0.95 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6883093 0.91 ATP4A (0.51) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10375003 0.89 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10370199 0.87 ATP4A (0.41) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10370828 0.87 ATP4A (0.41) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10369611 0.87 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10372111 0.86 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6880071 0.86 ATP4A (0.40) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10369558 0.85 ATP4A (0.52) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10375844 0.85 ATP4A (0.46) ATP4AATP4BATP1A1ATP1B1ATP1A3

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-0390842-A1 NOVEL BENZIMIDAZOLE DERIVATIVES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1990-10-10 EP disclosed
WO-1989005299-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1989-06-15 WO disclosed