SCHEMBL8977180

SCHEMBL8977180

O=C(COc1ccccc1)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.78
THRB P10828 1/20 0.78
HPGD P15428 1/20 0.78
MEN1 O00255 6/20 0.77
KMT2A Q03164 6/20 0.77
POLB P06746 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.67
MAPT P10636 6/20 0.67
LMNA P02545 3/20 0.67
HCRTR1 O43613 1/20 0.67
NPC1 O15118 1/20 0.64
MAPK1 P28482 1/20 0.64
MDM2 Q00987 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL8977175 0.92 ALDH1A1 (0.73) ALDH1A1THRBHPGDMEN1KMT2A
SCHEMBL11316237 0.85 MAPT (0.76) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL3836094 0.85 MAPT (0.76) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL14112029 0.84 ALDH1A1 (0.59) ALDH1A1THRBHPGDMEN1KMT2A
SCHEMBL7004973 0.82 MEN1 (0.71) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL11306038 0.82 MAPT (0.57) ALDH1A1THRBHPGDMEN1KMT2A
SCHEMBL12167722 0.82 MEN1 (0.70) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL5141415 0.81 MEN1 (0.75) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL15145803 0.81 ALDH1A1 (0.58) ALDH1A1THRBHPGDMEN1KMT2A
SCHEMBL17898582 0.81 KMT2A (0.57) ALDH1A1THRBHPGDMEN1KMT2A

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 3 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
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