SCHEMBL8977084

SCHEMBL8977084

CC(=O)Nc1cc([N+](=O)[O-])ccc1Oc1ccc(C(C)(C)CC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
TBXA2R P21731 7/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
CYP19A1 P11511 1/20 0.44
MDH1 P40925 1/20 0.44
MDH2 P40926 1/20 0.44
PYGL P06737 1/20 0.44
ALDH3A1 P30838 1/20 0.43

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
SCHEMBL8977077 0.81 ALDH3A1 (0.60) MEN1KMT2AGAAPKMSMN1; SMN2
SCHEMBL8977174 0.81 MAPT (0.61) MEN1KMT2AGAAPKMSMN1; SMN2
SCHEMBL6720880 0.80 TBXA2R (0.52) TBXA2R
SCHEMBL7217190 0.80 SMN1; SMN2 (0.52) MEN1KMT2AGAAPKMSMN1; SMN2
SCHEMBL7005272 0.78 MEN1 (0.57) MEN1KMT2AGAAPKMSMN1; SMN2
SCHEMBL4670457 0.77 HSPB1 (0.51) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL11412235 0.74 SMN1; SMN2 (0.59) MEN1KMT2AGAAPKMSMN1; SMN2
SCHEMBL11414383 0.74 SMN1; SMN2 (0.59) MEN1KMT2AGAAPKMSMN1; SMN2
SCHEMBL2502044 0.74 HTT (0.76) MEN1KMT2APKMSMN1; SMN2HTT
SCHEMBL11419008 0.73 RAB9A (0.58) MEN1KMT2AGAAPKMSMN1; SMN2

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 6 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