SCHEMBL10370828

SCHEMBL10370828

COc1cc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OC(F)C(F)(F)O4)ncc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.41
ATP4B P51164 5/20 0.41
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 1/20 0.32
ATP1B3 P54709 1/20 0.32
FXYD2 P54710 1/20 0.32
ATP1A4 Q13733 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CTSV O60911 2/20 0.32
CTSL P07711 2/20 0.32

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
SCHEMBL10370199 0.97 ATP4A (0.41) ATP4AATP4BPDGFRBPDGFRASRD5A1
SCHEMBL6881904 0.91 ATP4A (0.49) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9560526 0.90 ATP4A (0.51) ATP4AATP4BPDGFRBPDGFRASRD5A1
SCHEMBL10375405 0.90 ATP4A (0.45) ATP4AATP4BPDGFRBPDGFRASRD5A1
SCHEMBL10374514 0.88 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10369489 0.87 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10375533 0.86 ATP4A (0.45) ATP4AATP4BPDGFRBPDGFRASRD5A1
SCHEMBL10372082 0.86 ATP4A (0.51) ATP4AATP4BPDGFRBPDGFRASRD5A1
SCHEMBL10370268 0.86 ATP4A (0.42) ATP4AATP4BPDGFRBPDGFRASRD5A1
SCHEMBL10376356 0.86 ATP4A (0.42) 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