SCHEMBL24314472

SCHEMBL24314472

CCS(=O)(=O)c1cc(C(C)(C)C#N)ccc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.33
▸ BRS3 P32247 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ DDR1 Q08345 6/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL29482595 1.00 PDE2A (0.33) PDE2ABRS3RORCDDR1ALDH1A1
SCHEMBL16064951 0.91 PDE2A (0.40) PDE2ADDR1PTGDR2
SCHEMBL17466031 0.86 DDR1 (0.37) PDE2ARORCDDR1
SCHEMBL17696195 0.85 NR1H2 (0.36) PDE2ARORCALDH1A1
SCHEMBL24313895 0.85 PIK3CA (0.35) BRS3RORCDDR1ALDH1A1
SCHEMBL29904273 0.85 PIK3CA (0.35) BRS3RORCDDR1ALDH1A1
SCHEMBL24313978 0.84 — —
SCHEMBL25205049 0.84 DDR1 (0.33) PDE2ADDR1
SCHEMBL30177607 0.84 DDR1 (0.33) PDE2ADDR1
SCHEMBL29482591 0.84 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3585770-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-03-23 — — EP disclosed
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