SCHEMBL17459077

SCHEMBL17459077

CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1cn(-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 10/20 0.37
TLR2 O60603 2/20 0.35
TLR1 Q15399 2/20 0.35
PTGS2 P35354 4/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 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
SCHEMBL18668523 0.82 PTGS2 (0.52) PTGS2
SCHEMBL17470149 0.79 DDR1 (0.41) DDR1PTGS2ALOX5APFEN1KDM4E
SCHEMBL17459082 0.78 DDR1 (0.35) DDR1TLR2TLR1KDM4EGAA
SCHEMBL23629308 0.77 DDR1 (0.42) DDR1PTGS2SMN1; SMN2
SCHEMBL23629300 0.76 PDE2A (0.36) DDR1
SCHEMBL21925154 0.75 NPC1 (0.43) DDR1ALOX5APFEN1KDM4ELMNA
SCHEMBL20434187 0.75 PTGS2 (0.46) PTGS2
SCHEMBL18668536 0.74 CYP3A4 (0.41) PTGS2ALOX5APFEN1
SCHEMBL21925165 0.73 PARP1 (0.37) DDR1ALOX5APFEN1SMN1; SMN2
SCHEMBL18908831 0.73 KMT2A (0.39) DDR1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016012395-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed
WO-2016012395-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed