SCHEMBL436196

SCHEMBL436196

Fc1[c]ccc(-c2ccc(F)cc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
DHFR P00374 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
ALB P02768 1/20 0.46
HMGB1 P09429 1/20 0.46
HPGD P15428 1/20 0.46
CXCL12 P48061 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP2 O95551 1/20 0.40
CNR1 P21554 1/20 0.35

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
SCHEMBL433433 0.81 GRM2 (0.36) CNR1ESR1ESR2GRM2APP
SCHEMBL17514779 0.81 NISCH (0.38) TTRALDH1A1KDM4EMEN1USP2
SCHEMBL6017843 0.81 AKR1C3 (0.36) TTRALDH1A1KDM4EMEN1USP2
SCHEMBL432713 0.81 TTR (0.44) TTRALDH1A1KDM4EMEN1USP2
SCHEMBL15637656 0.81 TTR (0.44) TTRALDH1A1KDM4EMEN1USP2
SCHEMBL2053488 0.81 ALDH1A1 (0.44) TTRALDH1A1KDM4EMEN1USP2
SCHEMBL11013487 0.81 TTR (0.51) TTRALDH1A1KDM4EMEN1USP2
SCHEMBL2053317 0.79 TTR (0.42) TTRALDH1A1KDM4EMEN1USP2
SCHEMBL434573 0.78 PTPRC (0.46) ALDH1A1ACMSDALOX5APFEN1
SCHEMBL435275 0.78 TTR (0.46) TTRALDH1A1KDM4EMEN1USP2

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-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 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