SCHEMBL28683302

SCHEMBL28683302

CCSc1nn2ccc(-c3ccccc3)nc2c1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ POLB P06746 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDE10A Q9Y233 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SQOR Q9Y6N5 1/20 0.31
▸ DHODH Q02127 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL29525667 0.92 MAPT (0.33) MAPTL3MBTL1POLBHPGDSMN1; SMN2
SCHEMBL29525757 0.92 KDM4E (0.33) MAPTALDH1A1L3MBTL1POLBHPGD
SCHEMBL29526227 0.91 — —
SCHEMBL22776120 0.90 SCN5A (0.44) MAPTALDH1A1MAPK1HPGDKDM4E
SCHEMBL29525407 0.90 SCN5A (0.44) MAPTALDH1A1MAPK1HPGDKDM4E
SCHEMBL29525644 0.88 SCN5A (0.36) —
SCHEMBL28701113 0.85 MAOB (0.34) MAPTALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL22776126 0.84 HTR6 (0.32) —
SCHEMBL29525651 0.84 HTR6 (0.32) —
SCHEMBL22775838 0.84 HPGD (0.35) MAPTALDH1A1MAPK1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008043-B Condensed heterocyclic compounds and their use as pest control agents PI工业有限公司 2024-06-07 — — CN claimed
EP-3983411-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI Industries Ltd. (IN) 2022-04-20 — — EP claimed
CN-114008043-A Fused heterocyclic compound and use thereof as pest control agent PI工业有限公司 2022-02-01 — — CN claimed
CN-114008043-B Condensed heterocyclic compounds and their use as pest control agents PI工业有限公司 2024-06-07 — — CN disclosed
EP-3983411-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI Industries Ltd. (IN) 2022-04-20 — — EP disclosed
CN-114008043-A Fused heterocyclic compound and use thereof as pest control agent PI工业有限公司 2022-02-01 — — CN disclosed
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