SCHEMBL29525360

SCHEMBL29525360

CCS(=O)(=O)c1nn2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ ATP1A1 P05023 1/20 0.32
▸ ATP1B1 P05026 1/20 0.32
▸ ATP1A3 P13637 1/20 0.32
▸ ATP1B2 P14415 1/20 0.32
▸ ATP1A2 P50993 1/20 0.32
▸ ATP1B3 P54709 1/20 0.32
▸ FXYD2 P54710 1/20 0.32
▸ ATP1A4 Q13733 1/20 0.32
▸ BRAF P15056 3/20 0.32
▸ MAPT P10636 3/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL22776106 0.93 POLB (0.38) POLBKDM4EALDH1A1HPGDNPSR1
SCHEMBL29525775 0.93 POLB (0.40) POLBKDM4EALDH1A1HPGDNPSR1
SCHEMBL29525381 0.93 KDM4E (0.42) POLBKDM4EGRIN1GRIN2BBRAF
SCHEMBL28684097 0.92 MAPT (0.41) POLBKDM4EALDH1A1HPGDNPSR1
SCHEMBL29525524 0.92 POLB (0.38) POLBKDM4EALDH1A1HPGDNPSR1
SCHEMBL29525341 0.91 NPSR1 (0.41) POLBKDM4EALDH1A1HPGDNPSR1
SCHEMBL29525944 0.90 POLB (0.36) POLBKDM4EALDH1A1HPGDNPSR1
SCHEMBL29526138 0.89 NPSR1 (0.37) POLBKDM4EALDH1A1HPGDNPSR1
SCHEMBL29525584 0.89 MAPT (0.37) POLBKDM4EALDH1A1GRIN1GRIN2B
SCHEMBL29525388 0.89 POLB (0.38) POLB

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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