SCHEMBL29525744

SCHEMBL29525744

CCS(=O)(=O)c1nn2cc(Cl)cnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.35
▸ PTGS2 P35354 2/20 0.32

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
SCHEMBL22776050 0.91 PTGS2 (0.35) PTGS2
SCHEMBL29525785 0.91 PTGS2 (0.35) PTGS2
SCHEMBL29525545 0.90 NPC1 (0.39) PTGS2
SCHEMBL28684959 0.86 PTGS2 (0.34) PTGS2
SCHEMBL29525337 0.84 NPC1 (0.34) PTGS2
SCHEMBL22775955 0.84 NPC1 (0.34) PTGS2
SCHEMBL29525793 0.83 POLB (0.41) PTGS2
SCHEMBL22776103 0.83 PTGS2 (0.34) PTGS2
SCHEMBL29525767 0.83 PTGS2 (0.34) PTGS2
SCHEMBL22775962 0.83 NTRK1 (0.33) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983411-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI Industries Ltd. (IN) 2022-04-20 — — EP claimed
EP-3983411-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI Industries Ltd. (IN) 2022-04-20 — — EP disclosed
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