SCHEMBL29696274

SCHEMBL29696274

NC(=NO)c1ccc(Nc2ncc(-c3ccc(C4CC4)cn3)o2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 6/20 0.38
▸ VCP P55072 4/20 0.33
▸ DHODH Q02127 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SIRT7 Q9NRC8 1/20 0.32
▸ FLT1 P17948 3/20 0.31
▸ KDR P35968 3/20 0.31
▸ FLT4 P35916 2/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 1/20 0.30
▸ PRKAB2 O43741 1/20 0.30
▸ LCK P06239 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
SCHEMBL22925546 1.00 DGAT1 (0.38) DGAT1VCPDHODHKDM4EGLA
SCHEMBL28733870 0.88 VCP (0.42) DGAT1VCPSIRT7FLT1KDR
SCHEMBL22925677 0.88 VCP (0.42) DGAT1VCPSIRT7FLT1KDR
SCHEMBL29696312 0.88 VCP (0.42) DGAT1VCPSIRT7FLT1KDR
SCHEMBL22925766 0.84 ALOX5 (0.39) VCPSIRT7FLT1KDRFLT4
SCHEMBL22925740 0.84 ALOX5 (0.39) VCPSIRT7FLT1KDRFLT4
SCHEMBL29696308 0.84 ALOX5 (0.39) VCPSIRT7FLT1KDRFLT4
SCHEMBL22925730 0.83 VCP (0.44) DGAT1VCPSIRT7FLT1KDR
SCHEMBL29621023 0.83 VCP (0.44) DGAT1VCPSIRT7FLT1KDR
SCHEMBL28939255 0.83 VCP (0.44) DGAT1VCPSIRT7FLT1KDR

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
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 — — CN claimed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
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