SCHEMBL9270954

SCHEMBL9270954

Cc1cc(=O)oc2cc(OCCOCCO[N+](=O)[O-])ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.61
▸ MAOA P21397 5/20 0.61
▸ RAB9A P51151 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KDM4E B2RXH2 6/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ GAA P10253 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ GLA P06280 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ALDH2 P05091 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ AR P10275 2/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ CASP3 P42574 2/20 0.54
▸ SENP8 Q96LD8 2/20 0.54
▸ SENP7 Q9BQF6 2/20 0.54

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
SCHEMBL9265361 0.96 MAOB (0.65) MAOBMAOARAB9AKMT2AMEN1
SCHEMBL9270032 0.91 MAOB (0.67) MAOBMAOARAB9AKMT2AMEN1
SCHEMBL9192112 0.83 MAOB (0.62) MAOBMAOARAB9AKMT2AMEN1
SCHEMBL9263422 0.81 HSD17B3 (0.55) MAOBMAOAKMT2AMEN1KDM4E
SCHEMBL19000918 0.80 KDM4E (0.68) MAOBMAOARAB9AKMT2AMEN1
SCHEMBL9269043 0.79 AGER (0.64) MAOBAR
SCHEMBL9261233 0.79 MAOB (0.58) MAOBMAOARAB9AKMT2AMEN1
SCHEMBL10063475 0.79 MAOB (0.74) MAOBMAOARAB9AKMT2AMEN1
SCHEMBL9464272 0.79 MAOB (0.70) MAOBMAOARAB9AKMT2AMEN1
SCHEMBL18249863 0.78 ALDH1A1 (0.67) MAOBMAOARAB9AKMT2AMEN1

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-0670833-A1 NITROXY COMPOUNDS WITH PHARMACEUTICAL PROPERTIES IOVIS BIOMEDICAL AND PHARMACEUTICAL CONSULTANTS (NL) 1995-09-13 — — EP claimed
WO-1994012488-A1 NITROXY COMPOUNDS WITH PHARMACEUTICAL PROPERTIES BYK NEDERLAND BV (NL) 1994-06-09 — — WO claimed
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