SCHEMBL9687343

SCHEMBL9687343

FC(Cl)C(F)(F)Oc1ccc2[nH]c(S)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ATP4A P20648 6/20 0.32
ATP4B P51164 6/20 0.32
ATP1A1 P05023 4/20 0.32
ATP1B1 P05026 4/20 0.32
ATP1A3 P13637 4/20 0.32
ATP1B2 P14415 4/20 0.32
ATP1A2 P50993 4/20 0.32
ATP1B3 P54709 4/20 0.32
FXYD2 P54710 4/20 0.32
ATP1A4 Q13733 4/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CBFB Q13951 2/20 0.31
RUNX1 Q01196 1/20 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
SCHEMBL9456203 0.90 TRPV1 (0.45) TRPV1ATP4AATP4BATP1A1ATP1B1
SCHEMBL10751918 0.89 TRPV1 (0.45) TRPV1ATP4AATP4BATP1A1ATP1B1
SCHEMBL9676777 0.84 NPSR1 (0.45) TRPV1LMNAPOLBATP4AATP4B
SCHEMBL9531062 0.83 USP30 (0.36) TRPV1LMNAPOLBSCN10ACBFB
SCHEMBL2108293 0.83 RUNX1 (0.43) TRPV1LMNASCN10ACBFBRUNX1
SCHEMBL482378 0.80 NPC1 (0.41) LMNAATP4AATP4BATP1A1ATP1B1
SCHEMBL9456207 0.79 TRPV1 (0.54) TRPV1ATP4AATP4BATP1A1ATP1B1
SCHEMBL8304476 0.73 CACNA1B (0.40) LMNAATP4AATP4BATP1A1ATP1B1
SCHEMBL9674998 0.73 NPSR1 (0.49) TRPV1LMNAPOLBATP4AATP4B
SCHEMBL10623969 0.73 KDM4E (0.50) TRPV1LMNAPOLBATP4AATP4B

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