SCHEMBL434573

SCHEMBL434573

Fc1[c]ccc(-c2ccccc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.46
PTPN1 P18031 1/20 0.46
ACMSD Q8TDX5 1/20 0.45
BACE1 P56817 1/20 0.40
TRPA1 O75762 1/20 0.40
PDK2 Q15119 1/20 0.39
MAP4K4 O95819 1/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
ERN1 O75460 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PGR P06401 3/20 0.35
NPC1 O15118 1/20 0.34
CYP11B1 P15538 1/20 0.33

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
SCHEMBL8115423 0.85 PGR (0.38) PTPRCPTPN1ACMSDBACE1MAP4K4
SCHEMBL8125021 0.81 MCL1 (0.42) BACE1TRPA1PDK2ALOX5APFEN1
SCHEMBL29153433 0.81 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL15637453 0.81 CYP2A6 (0.47) BACE1TRPA1PDK2ALOX5APFEN1
SCHEMBL432735 0.81 PTPRC (0.43) PTPRCPTPN1ACMSDBACE1TRPA1
SCHEMBL17144990 0.81 PTPRC (0.43) PTPRCPTPN1ACMSDBACE1TRPA1
SCHEMBL15637136 0.81 PTPRC (0.43) PTPRCPTPN1ACMSDBACE1TRPA1
SCHEMBL2015544 0.81 PTPRC (0.43) PTPRCPTPN1ACMSDBACE1TRPA1
SCHEMBL436196 0.78 TTR (0.46) ACMSDALOX5APFEN1ALDH1A1
SCHEMBL2431244 0.78 PDK2 (0.42) PTPRCPTPN1ACMSDBACE1TRPA1

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-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-1439174-B1 4-IMIDAZOLIN-2-ONE COMPOUNDS AS p38 MAP KINASE INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
EP-2325165-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD Mitsui Chemicals Agro, Inc. (JP) 2011-05-25 EP 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