SCHEMBL9687979

SCHEMBL9687979

COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)Cl)ccc3[nH]2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 15/20 0.49
ATP4B P51164 15/20 0.49
ATP1A1 P05023 9/20 0.49
ATP1B1 P05026 9/20 0.49
ATP1A3 P13637 9/20 0.49
ATP1B2 P14415 9/20 0.49
ATP1A2 P50993 9/20 0.49
ATP1B3 P54709 9/20 0.49
FXYD2 P54710 9/20 0.49
ATP1A4 Q13733 9/20 0.49
RUNX1 Q01196 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC22A2 O15244 1/20 0.35
DDAH1 O94760 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ABCB1 P08183 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL9526343 0.94 ATP4A (0.56) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10751806 0.92 ATP4A (0.49) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9530793 0.90 ATP4A (0.44) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9687882 0.90 ATP4A (0.40) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988513 0.89 ATP4A (0.45) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527017 0.89 ATP4A (0.45) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988517 0.89 ATP4A (0.45) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10999579 0.89 ATP4A (0.45) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527930 0.88 ATP4A (0.44) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988479 0.88 ATP4A (0.54) 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 7 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 claimed
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 claimed
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 claimed
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