SCHEMBL9688490

SCHEMBL9688490

C=CCOc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)c(C)cc3[nH]2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 8/20 0.43
ATP4B P51164 8/20 0.43
ATP1A1 P05023 5/20 0.43
ATP1B1 P05026 5/20 0.43
ATP1A3 P13637 5/20 0.43
ATP1B2 P14415 5/20 0.43
ATP1A2 P50993 5/20 0.43
ATP1B3 P54709 5/20 0.43
FXYD2 P54710 5/20 0.43
ATP1A4 Q13733 5/20 0.43
WDR5 P61964 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SLC22A2 O15244 1/20 0.32
DDAH1 O94760 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ABCB1 P08183 1/20 0.32
CYP3A4 P08684 1/20 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
SCHEMBL9688548 0.92 ATP4A (0.53) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527378 0.88 ATP4A (0.54) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9687947 0.88 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9688809 0.87 ATP4A (0.34) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9526676 0.83 ATP4A (0.61) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9687874 0.83 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9686718 0.82 ATP4A (0.44) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9526295 0.82 ATP4A (0.62) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9688337 0.82 ATP4A (0.39) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL11000311 0.81 ATP4A (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201575-B1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-08-12 EP disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 US disclosed
EP-0201575-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1986-11-20 EP disclosed
WO-1986002646-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 WO disclosed