SCHEMBL21925099

SCHEMBL21925099

CCS(=O)(=O)c1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 13/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
AGPAT2 O15120 2/20 0.36
CCR2 P41597 1/20 0.35
CNR2 P34972 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
SCHEMBL17432175 0.92 PTGS2 (0.39) DDR1KDM4EALDH1A1CYP1A2HPGD
SCHEMBL19439382 0.90 DDR1 (0.38) DDR1KDM4EALDH1A1CYP1A2HPGD
SCHEMBL17530254 0.90 GRM5 (0.35) DDR1KDM4EALDH1A1CYP1A2HPGD
SCHEMBL21925116 0.90 KDM4E (0.39) KDM4EALDH1A1CYP1A2HPGDAGPAT2
SCHEMBL17494853 0.89 DDR1 (0.38) DDR1PTGDR2AGPAT2CNR2
SCHEMBL20547541 0.88 CNR2 (0.34) DDR1KDM4EHPGDCNR2
SCHEMBL17494868 0.88 DDR1 (0.37) DDR1ALDH1A1CNR2
SCHEMBL30958299 0.88 DDR1 (0.37) DDR1ALDH1A1CNR2
SCHEMBL17824513 0.88 CA12 (0.36) KDM4ECNR2
SCHEMBL30958307 0.88 CNR2 (0.34) DDR1KDM4EHPGDCNR2

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
EP-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP claimed
EP-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed