SCHEMBL20847532

SCHEMBL20847532

CCSc1cc(C(F)(F)F)cnc1-c1nc2cc(OCC#N)ncc2n1C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PDE10A Q9Y233 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
SCHEMBL17901809 0.89 POLB (0.39) POLB
SCHEMBL20847439 0.88 POLB (0.40) POLB
SCHEMBL17623211 0.88 POLB (0.34) POLBPDE10A
SCHEMBL20847520 0.87 POLB (0.38) POLB
SCHEMBL17896018 0.87 POLB (0.39) POLBALDH1A1
SCHEMBL17895954 0.86 POLB (0.38) POLB
SCHEMBL17901877 0.83 POLB (0.35) POLB
SCHEMBL19755915 0.83 POLB (0.37) POLBALDH1A1
SCHEMBL17896023 0.82 POLB (0.37) POLBALDH1A1
SCHEMBL17009004 0.82 POLB (0.37) POLBALDH1A1

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-3240786-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-03-27 — — EP disclosed
Send feedback