SCHEMBL9688009

SCHEMBL9688009

Cc1cc2[nH]c(S)nc2cc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATP4A P20648 4/20 0.37
ATP4B P51164 4/20 0.37
ATP1A1 P05023 2/20 0.37
ATP1B1 P05026 2/20 0.37
ATP1A3 P13637 2/20 0.37
ATP1B2 P14415 2/20 0.37
ATP1A2 P50993 2/20 0.37
ATP1B3 P54709 2/20 0.37
FXYD2 P54710 2/20 0.37
ATP1A4 Q13733 2/20 0.37
AMY1A P0DUB6 9/20 0.37
FABP6 P51161 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9530579 0.87 ATP4A (0.40) TDP1ATP4AATP4BATP1A1ATP1B1
SCHEMBL9531757 0.84 ATP4A (0.48) MEN1KMT2ATDP1ATP4AATP4B
SCHEMBL9528285 0.83 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL1007193 0.76 FABP6 (0.59) ATMMEN1MAPTKMT2APSMD14
SCHEMBL9687854 0.75 MEN1 (0.30) MEN1KMT2A
SCHEMBL9455942 0.74 AMY1A (0.47) ATMMEN1MAPTKMT2APSMD14
SCHEMBL10844887 0.72 MAPT (0.50) ATMMEN1MAPTKMT2APSMD14
SCHEMBL482378 0.72 NPC1 (0.41) MEN1MAPTKMT2AATP4AATP4B
SCHEMBL2108226 0.72 CYP3A4 (0.49) MEN1MAPTKMT2AATP4AATP4B
SCHEMBL211457 0.72 AMY1A (0.45) MEN1KMT2AAMY1A

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