SCHEMBL10374161

SCHEMBL10374161

COc1c(OCc2ccccc2)ccnc1C[S+]([O-])c1nc2cc3c(cc2[nH]1)OC(F)(F)C(F)(F)O3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 9/20 0.46
ATP4B P51164 9/20 0.46
ATP1A1 P05023 1/20 0.41
ATP1B1 P05026 1/20 0.41
ATP1A3 P13637 1/20 0.41
ATP1B2 P14415 1/20 0.41
ATP1A2 P50993 1/20 0.41
ATP1B3 P54709 1/20 0.41
FXYD2 P54710 1/20 0.41
ATP1A4 Q13733 1/20 0.41
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PRMT5 O14744 1/20 0.32
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP3A4 P08684 2/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL10373106 0.95 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10370231 0.91 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10375003 0.90 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6873865 0.90 ATP4A (0.56) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10376491 0.89 ATP4A (0.52) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10373099 0.88 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10375844 0.85 ATP4A (0.46) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10372617 0.84 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6883674 0.84 ATP4A (0.63) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6871851 0.84 ATP4A (0.52) 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