SCHEMBL29525651

SCHEMBL29525651

CCSc1nn2cccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.32
▸ KCNQ3 O43525 2/20 0.31
▸ KCNQ2 O43526 2/20 0.31

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
SCHEMBL22776126 1.00 HTR6 (0.32) HTR6KCNQ3KCNQ2
SCHEMBL19993248 0.87 JAK2 (0.31) —
SCHEMBL29526184 0.85 KCNQ3 (0.38) HTR6KCNQ3KCNQ2
SCHEMBL29525628 0.84 ATR (0.34) —
SCHEMBL28683302 0.84 MAPT (0.33) —
SCHEMBL28683393 0.83 HTR6 (0.33) HTR6
SCHEMBL28701113 0.83 MAOB (0.34) —
SCHEMBL22775955 0.82 NPC1 (0.34) HTR6KCNQ3KCNQ2
SCHEMBL29525337 0.82 NPC1 (0.34) HTR6KCNQ3KCNQ2
SCHEMBL22775956 0.82 POLB (0.44) HTR6KCNQ3KCNQ2

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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