SCHEMBL8977067

SCHEMBL8977067

CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.56
MEN1 O00255 9/20 0.56
MAPT P10636 8/20 0.56
ALDH1A1 P00352 8/20 0.56
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NFKB1 P19838 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
PKM P14618 3/20 0.55
MAPK1 P28482 3/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL8977114 0.89 MAPT (0.64) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8940873 0.78 KMT2A (0.63) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL28158296 0.78 KMT2A (0.70) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL23041342 0.76 MAPT (0.55) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5215487 0.76 MAPT (0.58) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4740981 0.75 MEN1 (0.54) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL27676843 0.75 MEN1 (0.74) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL12111929 0.75 MAPT (0.54) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL5222845 0.75 MAPT (0.63) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4255958 0.75 MAPT (0.66) KMT2AMEN1MAPTALDH1A1LMNA

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
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