SCHEMBL9687882

SCHEMBL9687882

C=CCOc1ccnc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)Cl)ccc3[nH]2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 9/20 0.40
ATP4B P51164 9/20 0.40
ATP1A1 P05023 8/20 0.40
ATP1B1 P05026 8/20 0.40
ATP1A3 P13637 8/20 0.40
ATP1B2 P14415 8/20 0.40
ATP1A2 P50993 8/20 0.40
ATP1B3 P54709 8/20 0.40
FXYD2 P54710 8/20 0.40
ATP1A4 Q13733 8/20 0.40
WDR5 P61964 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
RAB9A P51151 2/20 0.32
ENGASE Q8NFI3 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
SCHEMBL9686718 0.94 ATP4A (0.44) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9687979 0.90 ATP4A (0.49) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9687947 0.89 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527251 0.84 ATP4A (0.47) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9526343 0.83 ATP4A (0.56) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10751806 0.83 ATP4A (0.49) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9687925 0.83 CYP1A2 (0.51) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9687874 0.82 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9688490 0.80 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9528191 0.80 ATP4A (0.38) 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 8 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
US-4586948-A 2,4-disubstituted-5-thiazole-carboxylic acids and derivatives MONSANTO COMPANY (US) 1986-05-06 US disclosed
US-4437876-A PLANT SAFENING AGENTS FOR ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1984-03-20 US disclosed
US-4437875-A PLANT SAFENING AGENT FOR ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1984-03-20 US disclosed
US-4199506-A REDUCES HERBICIDAL INJURY TO PLATNS DUE TO ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1980-04-22 US disclosed