SCHEMBL24695965

SCHEMBL24695965

CC[SH](C)(=O)c1cc(C2(C#N)CC2)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ PIK3C2A O00443 1/20 0.33
▸ PIK3C2B O00750 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PRKCE Q02156 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
SCHEMBL24696134 0.87 PIK3C2A (0.30) PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL24696315 0.83 POLB (0.38) CYP1A2PRKCE
SCHEMBL17529570 0.83 CYP1A2 (0.36) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL21586227 0.82 CYP1A2 (0.38) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30122232 0.82 CYP1A2 (0.38) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30122069 0.82 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30402935 0.82 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL21586223 0.82 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30122353 0.82 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL17529564 0.81 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR

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
WO-2022253841-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-12-08 — — WO disclosed
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