SCHEMBL17687625

SCHEMBL17687625

CCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)nc(Cl)c2n1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.41
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ DDR1 Q08345 3/20 0.34
▸ USP1 O94782 1/20 0.34
▸ SDHB P21912 1/20 0.33
▸ COMT P21964 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL31534727 0.82 PTGS2 (0.40) PTGS2KDM4ELMNARORCDDR1
SCHEMBL17422537 0.82 PTGS2 (0.40) PTGS2KDM4ELMNARORCDDR1
SCHEMBL29679797 0.82 PTGS2 (0.40) PTGS2KDM4ELMNARORCDDR1
SCHEMBL21578031 0.81 DDR1 (0.37) PTGS2KDM4EDDR1COMTCNR2
SCHEMBL15933507 0.80 PTGS2 (0.41) PTGS2DDR1COMTCNR2MEN1
SCHEMBL29431633 0.80 PTGS2 (0.41) PTGS2DDR1COMTCNR2MEN1
SCHEMBL14677191 0.80 RORC (0.39) PTGS2RORCDDR1
SCHEMBL19840538 0.78 TRPV1 (0.37) PTGS2DDR1COMTNR1H2
SCHEMBL21805952 0.78 HSD17B10 (0.33) KDM4EDDR1KMT2A
SCHEMBL22280385 0.78 DDR1 (0.35) RORCDDR1

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-2016058928-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 — — WO disclosed
WO-2016058928-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 — — WO disclosed
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