SCHEMBL29656874

SCHEMBL29656874

Nc1ccnc2c(C(F)(F)F)cc(C(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ NR4A2 P43354 3/20 0.38
▸ CACNA1H O95180 7/20 0.36
▸ CACNA1G O43497 2/20 0.36
▸ CACNA1C Q13936 2/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ NCF1 P14598 2/20 0.34
▸ SOS2 Q07890 1/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL23301410 0.80 NOS3 (0.37) NOS3NOS2CACNA1HCACNA1GCACNA1C
SCHEMBL29656845 0.80 NOS3 (0.37) NOS3NOS2CACNA1HCACNA1GCACNA1C
SCHEMBL30604782 0.76 NR4A2 (0.56) NR4A2NCF1NR1H2NR1H3DYRK1A
SCHEMBL2876594 0.76 NR4A2 (0.56) NR4A2NCF1NR1H2NR1H3DYRK1A
SCHEMBL30762119 0.75 CACNA1H (0.40) NOS3NOS2CACNA1HCACNA1GCACNA1C
SCHEMBL5314200 0.72 NR4A2 (0.56) NOS3NOS2NR4A2NCF1SOS2
SCHEMBL6537370 0.72 SLC40A1 (0.44) NOS3NOS2NR4A2KIF11SOS2
SCHEMBL23301010 0.70 GSK3B (0.40) DYRK1A
SCHEMBL1980284 0.69 NR4A2 (0.56) NOS3NOS2NR4A2KIF11NCF1
SCHEMBL16905239 0.69 HSP90AA1 (0.56) NR4A2NCF1

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-4643644-A2 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS Syngenta Crop Protection AG (CH) 2025-11-05 — — EP disclosed
CN-114630825-A Pesticidally active fused bicyclic heteroaromatic compounds 先正达农作物保护股份公司 2022-06-14 — — CN disclosed
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