SCHEMBL21589986

SCHEMBL21589986

CCSc1cc(C2(C#N)CC2)ccc1-c1nc2cc(C(C)(F)F)cnc2n1C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL21586207 0.94 POLB (0.41) CYP1A2POLBALDH1A1
SCHEMBL21590020 0.87 POLB (0.35) POLB
SCHEMBL21590016 0.85 POLB (0.41) POLB
SCHEMBL31194355 0.85 PIK3C2A (0.35) CYP1A2POLBALDH1A1
SCHEMBL21590012 0.83 CYP1A2 (0.36) CYP1A2
SCHEMBL21590008 0.81 AGPAT2 (0.40) CYP1A2
SCHEMBL30122217 0.81 POLB (0.42) CYP1A2POLB
SCHEMBL20267583 0.81 POLB (0.42) CYP1A2POLB
SCHEMBL21590031 0.80 POLB (0.45) POLBALDH1A1
SCHEMBL21586227 0.80 CYP1A2 (0.38) CYP1A2

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-2019234158-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2019-12-12 — — WO disclosed
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