SCHEMBL30633018

SCHEMBL30633018

O=[N+]([O-])c1cccc(C=Cc2ncco2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ NFE2L2 Q16236 3/20 0.59
▸ CYP19A1 P11511 1/20 0.57
▸ MAOB P27338 2/20 0.57
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ FBP1 P09467 1/20 0.54
▸ VCP P55072 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.51
▸ CASP3 P42574 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ METAP2 P50579 1/20 0.47

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
SCHEMBL18640452 1.00 MAPT (0.60) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL18640449 1.00 MAPT (0.60) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL30632956 0.82 RAB9A (0.58) MAPTRAB9ANPC1CYP19A1MEN1
SCHEMBL15498134 0.80 NFE2L2 (0.89) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL11301074 0.77 CYP19A1 (0.93) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL11301072 0.77 CYP19A1 (0.93) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL5894264 0.76 NFE2L2 (0.75) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL5894256 0.76 NFE2L2 (0.75) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL30632879 0.76 ALDH1A1 (0.39) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL4710212 0.75 RAB9A (1.00) MAPTRAB9AALDH1A1NPC1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 — — CN disclosed
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