SCHEMBL20847439

SCHEMBL20847439

CCSc1cc(C(F)(F)F)cnc1-c1nc2cc(OC)ncc2n1C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ ACSS2 Q9NR19 1/20 0.37
▸ ROCK1 Q13464 1/20 0.33
▸ PIK3CA P42336 2/20 0.30
▸ PRKAA2 P54646 2/20 0.30
▸ ALOX5AP P20292 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 0.91 POLB (0.39) POLB
SCHEMBL17896018 0.90 POLB (0.39) POLB
SCHEMBL17895954 0.89 POLB (0.38) POLB
SCHEMBL20847520 0.88 POLB (0.38) POLB
SCHEMBL20847532 0.88 POLB (0.38) POLB
SCHEMBL17896023 0.88 POLB (0.37) POLB
SCHEMBL19755915 0.86 POLB (0.37) POLB
SCHEMBL17009004 0.85 POLB (0.37) POLB
SCHEMBL17896030 0.85 POLB (0.39) POLB
SCHEMBL15868312 0.84 POLB (0.37) POLBACSS2PIK3CA

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
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