SCHEMBL2015544

SCHEMBL2015544

Cc1[c]ccc(-c2ccccc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
ACMSD Q8TDX5 1/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
BACE1 P56817 1/20 0.38
TRPA1 O75762 1/20 0.38
PDK2 Q15119 1/20 0.37
ERN1 O75460 1/20 0.37
MBNL1 Q9NR56 1/20 0.37
MAP4K4 O95819 1/20 0.36
PGR P06401 3/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ACHE P22303 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL2014094 0.86 PGR (0.39) TNKSTNKS2BACE1MAP4K4PGR
SCHEMBL374592 0.81 MCL1 (0.45) BACE1TRPA1PDK2NPC1RAB9A
SCHEMBL434573 0.81 PTPRC (0.46) PTPRCPTPN1ACMSDTNKSTNKS2
SCHEMBL2053488 0.80 ALDH1A1 (0.44) ACMSDALOX5APFEN1MEN1KMT2A
SCHEMBL2049821 0.80 CA3 (0.32) PTPN1ACMSDBACE1MEN1KMT2A
SCHEMBL2050893 0.79 TTR (0.35) TRPA1PGRALOX5APFEN1ACHE
SCHEMBL698368 0.79 PTPRC (0.43) PTPRCPTPN1ACMSDTNKSTNKS2
SCHEMBL15637136 0.78 PTPRC (0.43) PTPRCPTPN1ACMSDTNKSTNKS2
SCHEMBL15636889 0.78 CYP2A6 (0.47) TNKS2BACE1TRPA1PDK2ERN1
SCHEMBL432735 0.78 PTPRC (0.43) PTPRCPTPN1ACMSDTNKSTNKS2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634404-A1 Phtalazin derivatives and their use as pesticides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP claimed
CN-108329246-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors 阵列生物制药公司 2021-02-26 CN disclosed
WO-2013182433-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-12-12 WO disclosed
EP-2547687-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-01-23 EP disclosed
EP-2513067-A1 METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF BASF SE (DE) 2012-10-24 EP disclosed
WO-2011113820-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2011-09-22 WO disclosed
WO-2011073145-A1 METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF BASF SE (DE) 2011-06-23 WO disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed