SCHEMBL15546554

SCHEMBL15546554

NC(=O)Oc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HIF1A Q16665 1/20 0.50
HTT P42858 4/20 0.46
HSPB1 P04792 3/20 0.46
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GAA P10253 2/20 0.41
THRB P10828 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL5505279 0.84 CYP4F2 (0.54) ALDH1A1HIF1AHTTHSPB1KMT2A
SCHEMBL28370569 0.82 GAA (0.54) ALDH1A1HTTKMT2ATSHRMEN1
SCHEMBL29274466 0.81 KMT2A (0.55) ALDH1A1HTTKMT2ATSHRMEN1
SCHEMBL27590300 0.80 ALDH1A1 (0.46) ALDH1A1HIF1AHTTHSPB1KMT2A
SCHEMBL20162383 0.80 ALDH1A1 (0.46) ALDH1A1HIF1AHTTHSPB1KMT2A
SCHEMBL20424921 0.80 ALDH1A1 (0.51) ALDH1A1HIF1AHTTHSPB1KMT2A
SCHEMBL28958625 0.80 S1PR4 (0.45) ALDH1A1HIF1AHTTHSPB1TSHR
SCHEMBL28713221 0.78 ALDH1A1 (0.44) ALDH1A1HIF1AHTTHSPB1KMT2A
SCHEMBL5802942 0.77 ALDH1A1 (0.54) ALDH1A1HTTKMT2ATSHRMEN1
SCHEMBL29130743 0.77 HGFAC (0.62) ALDH1A1KMT2AMEN1MAPTLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113453681-A Substituted 3- ((3-aminophenyl) amino) piperidine-2, 6-dione compounds, compositions thereof, and methods of treatment using the same 细胞基因公司 2021-09-28 CN disclosed
EP-2875001-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-09 EP disclosed
EP-2875001-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2015-05-27 EP disclosed
WO-2014012360-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-01-23 WO disclosed