SCHEMBL30632956

SCHEMBL30632956

O=[N+]([O-])c1ccc(C=Cc2ncco2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.58
▸ MAPT P10636 3/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ PTGS2 P35354 7/20 0.51
▸ APP P05067 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ FBP1 P09467 1/20 0.49
▸ PTGS1 P23219 2/20 0.47
▸ CYP19A1 P11511 2/20 0.47
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ METAP2 P50579 1/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL18640449 0.82 MAPT (0.60) RAB9AMAPTNPC1SMN1; SMN2FBP1
SCHEMBL18640452 0.82 MAPT (0.60) RAB9AMAPTNPC1SMN1; SMN2FBP1
SCHEMBL30633018 0.82 MAPT (0.60) RAB9AMAPTNPC1SMN1; SMN2FBP1
SCHEMBL30632879 0.77 ALDH1A1 (0.39) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL14947048 0.77 APP (0.78) RAB9AMAPTNPC1PTGS2APP
SCHEMBL458177 0.77 APP (0.78) RAB9AMAPTNPC1PTGS2APP
SCHEMBL9170800 0.77 APP (0.78) RAB9AMAPTNPC1PTGS2APP
SCHEMBL9170804 0.77 APP (0.78) RAB9AMAPTNPC1PTGS2APP
SCHEMBL458178 0.77 APP (0.78) RAB9AMAPTNPC1PTGS2APP
SCHEMBL11133083 0.77 MAPT (0.61) RAB9AMAPTNPC1PTGS2APP

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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