SCHEMBL3650142

SCHEMBL3650142

Nc1ccc(C(=O)NCc2cccs2)cc1N.O=C(NCc1cccs1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.64
▸ HPGD P15428 7/20 0.57
▸ HTT P42858 2/20 0.57
▸ TP53 P04637 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MITF O75030 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ PKM P14618 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL2314054 0.92 THRB (0.70) THRBHPGDHTTTP53SMN1; SMN2
SCHEMBL2319467 0.87 HPGD (0.64) THRBHPGDHTTTP53SMN1; SMN2
SCHEMBL27807378 0.79 HPGD (0.76) THRBHPGDHTTTP53MEN1
SCHEMBL2419952 0.78 THRB (0.74) THRBHPGDHTTTP53SMN1; SMN2
SCHEMBL10321762 0.77 HPGD (0.62) THRBHPGDHTTTP53SMN1; SMN2
SCHEMBL10322196 0.77 KDM4E (0.60) THRBHPGDHTTSMN1; SMN2MEN1
SCHEMBL5551614 0.73 HPGD (0.74) THRBHPGDHTTSMN1; SMN2MEN1
SCHEMBL10634286 0.73 MEN1 (0.67) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL31396768 0.72 HPGD (0.68) THRBHPGDHTTTP53SMN1; SMN2
SCHEMBL8302813 0.72 SMN1; SMN2 (0.60) HPGDHTTSMN1; SMN2MEN1KMT2A

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-2183222-A2 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2010-05-12 — — EP disclosed
WO-2009024287-A2 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2009-02-26 — — WO disclosed
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