SCHEMBL24696315

SCHEMBL24696315

CC[SH](C)(=O)c1cc(C2(C#N)CC2)ccc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ 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
SCHEMBL24695966 0.87 POLB (0.38) POLBTRPM8
SCHEMBL24695965 0.83 CYP1A2 (0.35) CYP1A2PRKCE
SCHEMBL21590034 0.83 CYP1A2 (0.39) POLBCYP1A2TRPM8ALDH1A1
SCHEMBL21586207 0.82 POLB (0.41) POLBCYP1A2TRPM8ALDH1A1PRKCE
SCHEMBL21586224 0.82 POLB (0.38) POLBCYP1A2TRPM8ALDH1A1PRKCE
SCHEMBL30122116 0.82 POLB (0.38) POLBCYP1A2TRPM8ALDH1A1PRKCE
SCHEMBL30122103 0.82 POLB (0.38) POLBCYP1A2TRPM8ALDH1A1PRKCE
SCHEMBL31476271 0.81 POLB (0.36) POLBCYP1A2TRPM8ALDH1A1PRKCE
SCHEMBL31476225 0.81 POLB (0.36) POLBCYP1A2TRPM8ALDH1A1PRKCE
SCHEMBL21589986 0.76 CYP1A2 (0.36) POLBCYP1A2ALDH1A1

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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