SCHEMBL27807378

SCHEMBL27807378

O=C(NCc1cccs1)c1ccccc1.O=[N+]([O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.76
▸ HTT P42858 2/20 0.74
▸ THRB P10828 1/20 0.72
▸ PKM P14618 4/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ RAB9A P51151 2/20 0.53
▸ LMNA P02545 4/20 0.53
▸ USP2 O75604 1/20 0.52
▸ CXCR3 P49682 1/20 0.49

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
SCHEMBL2234130 0.87 HPGD (1.00) HPGDHTTTHRBPKMMEN1
Hydrochloric Acid SCHEMBL28152221 0.86 HPGD (0.97) HPGDHTTTHRBPKMMEN1
SCHEMBL2314054 0.86 THRB (0.70) HPGDHTTTHRBPKMMEN1
SCHEMBL2419952 0.81 THRB (0.74) HPGDHTTTHRBPKMMEN1
SCHEMBL14484111 0.79 HPGD (0.82) HPGDHTTTHRBPKMMEN1
SCHEMBL31236774 0.79 HPGD (0.67) HPGDHTTTHRBPKMMEN1
SCHEMBL3650142 0.79 THRB (0.64) HPGDHTTTHRBPKMMEN1
SCHEMBL29547883 0.78 HPGD (0.80) HPGDHTTTHRBPKMMEN1
SCHEMBL2305026 0.77 HPGD (0.74) HPGDHTTTHRBPKMMEN1
SCHEMBL9366252 0.77 ALDH1A1 (0.58) HPGDHTTPKMMEN1ALDH1A1

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-101784528-A Azolorine derivatives, method for the production thereof, medicaments containing these compounds and the use thereof SANOFI AVENTIS 2010-07-21 — — CN disclosed
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