SCHEMBL11265308

SCHEMBL11265308

O=C(Cl)c1cccc(OCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.77
MAOA P21397 3/20 0.64
ALDH1A1 P00352 2/20 0.62
TSHR P16473 1/20 0.62
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
SLC2A1 P11166 1/20 0.53
NR4A2 P43354 2/20 0.52
RAB9A P51151 1/20 0.52
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51

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
SCHEMBL11265703 0.88 MAOB (0.79) MAOBMAOANR4A2RAB9A
SCHEMBL30418494 0.87 MAOB (0.77) MAOBMAOAALDH1A1TSHRMAPT
SCHEMBL4639986 0.87 MAOB (0.77) MAOBMAOAALDH1A1TSHRMAPT
SCHEMBL27921583 0.85 MAOB (0.74) MAOBMAOAALDH1A1MAPTMEN1
SCHEMBL13192710 0.82 MAOB (0.70) MAOBMAOAALDH1A1TSHRSLC2A1
SCHEMBL28317091 0.81 MAOB (0.60) MAOBMAOAALDH1A1MAPTMEN1
SCHEMBL30412560 0.81 NR4A2 (0.77) MAOBMAOAALDH1A1MEN1KMT2A
SCHEMBL340107 0.81 NR4A2 (0.77) MAOBMAOAALDH1A1MEN1KMT2A
SCHEMBL6599866 0.81 MAOB (0.68) MAOBMAOAALDH1A1TSHRMAPT
SCHEMBL8991408 0.79 MAOB (0.79) MAOBMAOAALDH1A1MAPTMEN1

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
US-4337272-A BRONCHODILATOR AGENTS VALEAS S. R. L. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1982-06-29 US disclosed
US-4252824-A BRONCHODILATOR AGENTS VALEAS S.R.L., INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1981-02-24 US disclosed