SCHEMBL30632980

SCHEMBL30632980

O=[N+]([O-])c1ccccc1C=Cc1ncco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.49
▸ NPC1 O15118 7/20 0.48
▸ RAB9A P51151 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ MAPT P10636 5/20 0.48
▸ METAP2 P50579 1/20 0.46
▸ CYP19A1 P11511 2/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAOB P27338 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL11049170 0.79 MAPT (0.69) SOS1NPC1RAB9AKMT2AMEN1
SCHEMBL9978289 0.79 MAPT (0.69) SOS1NPC1RAB9AKMT2AMEN1
SCHEMBL14935499 0.79 MAPT (0.69) SOS1NPC1RAB9AKMT2AMEN1
SCHEMBL11296000 0.77 MAPT (0.67) SOS1NPC1RAB9AKMT2AMEN1
SCHEMBL11299049 0.77 MAPT (0.67) SOS1NPC1RAB9AKMT2AMEN1
SCHEMBL30632929 0.76 MAPT (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL660647 0.75 NPC1 (0.60) SOS1NPC1RAB9AKMT2AMEN1
SCHEMBL660646 0.75 NPC1 (0.60) SOS1NPC1RAB9AKMT2AMEN1
SCHEMBL30633018 0.74 MAPT (0.60) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL18640449 0.74 MAPT (0.60) NPC1RAB9AKMT2AMEN1MAPT

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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