SCHEMBL29525495

SCHEMBL29525495

CCS(=O)(=O)c1nn2c(C)cc(C)nc2c1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ PTGS2 P35354 1/20 0.35
▸ HTR6 P50406 14/20 0.33
▸ HTR2B P41595 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 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
SCHEMBL22775859 1.00 KDM4E (0.38) KDM4EPOLBPTGS2HTR6HTR2B
SCHEMBL19973846 0.85 HTR6 (0.37) PTGS2HTR6HTR2B
SCHEMBL31121689 0.85 HTR6 (0.37) PTGS2HTR6HTR2B
SCHEMBL29526330 0.82 HTR6 (0.42) KDM4EPOLBPTGS2HTR6ALDH1A1
SCHEMBL22775948 0.82 HTR6 (0.42) KDM4EPOLBPTGS2HTR6ALDH1A1
SCHEMBL28699081 0.82 POLB (0.42) KDM4EPOLBPTGS2HTR6MEN1
SCHEMBL29525337 0.80 NPC1 (0.34) PTGS2HTR6
SCHEMBL22775955 0.80 NPC1 (0.34) PTGS2HTR6
SCHEMBL29525744 0.80 ATR (0.35) PTGS2
SCHEMBL29525576 0.79 PTGS2 (0.36) PTGS2

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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