SCHEMBL8977077

SCHEMBL8977077

CC(=O)Nc1ccc(Oc2ccc(C(C)(C)CC(C)(C)C)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.60
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 4/20 0.50
POLB P06746 2/20 0.50
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.46
AR P10275 2/20 0.45
MAPT P10636 5/20 0.43
MDH1 P40925 1/20 0.43
MDH2 P40926 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8977084 0.81 MEN1 (0.53) ALDH3A1ALDH1A1KMT2AMEN1GAA
SCHEMBL29255944 0.80 HTT (0.64) ALDH3A1ALDH1A1KMT2AMEN1LMNA
SCHEMBL2968268 0.76 MEN1 (0.67) ALDH3A1ALDH1A1KMT2AMEN1LMNA
SCHEMBL10520239 0.75 ALDH1A1 (0.44) ALDH3A1ALDH1A1HPGDNPSR1KMT2A
SCHEMBL11418211 0.74 HTT (0.59) ALDH3A1ALDH1A1KMT2AMEN1LMNA
SCHEMBL11415053 0.74 HTT (0.59) ALDH3A1ALDH1A1KMT2AMEN1LMNA
SCHEMBL30675591 0.74 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL9644642 0.74 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL5577004 0.73 KMT2A (0.62) ALDH3A1ALDH1A1KMT2AMEN1LMNA
SCHEMBL11407994 0.73 HTT (0.58) ALDH3A1ALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517871-B1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LTD (GB) 1996-04-24 EP claimed
US-5382682-A Nitroanilides and their preparation EASTMAN KODAK COMPANY (US) 1995-01-17 US claimed
EP-0517871-A1 NOVEL NITROANILIDES AND THEIR PREPARATION. KODAK LTD (GB) 1992-12-16 EP claimed
WO-1992011230-A1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LIMITED (GB) 1992-07-09 WO claimed
EP-0517871-B1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LTD (GB) 1996-04-24 EP disclosed
US-5382682-A Nitroanilides and their preparation EASTMAN KODAK COMPANY (US) 1995-01-17 US disclosed
EP-0517871-A1 NOVEL NITROANILIDES AND THEIR PREPARATION. KODAK LTD (GB) 1992-12-16 EP disclosed
WO-1992011230-A1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LIMITED (GB) 1992-07-09 WO disclosed