SCHEMBL8977175

SCHEMBL8977175

O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.73
KMT2A Q03164 6/20 0.73
MEN1 O00255 5/20 0.73
POLB P06746 2/20 0.73
THRB P10828 1/20 0.67
HPGD P15428 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 1/20 0.62
MAPT P10636 5/20 0.61
LMNA P02545 2/20 0.59
HCRTR1 O43613 1/20 0.59
HTT P42858 1/20 0.58
CETP P11597 1/20 0.57
MAPK1 P28482 1/20 0.56

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
SCHEMBL8977180 0.92 ALDH1A1 (0.78) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL7097840 0.86 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL11316237 0.85 MAPT (0.76) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL3836094 0.85 MAPT (0.76) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL9911322 0.82 KMT2A (0.63) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL18328491 0.82 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL12167722 0.82 MEN1 (0.70) ALDH1A1KMT2AMEN1POLBHPGD
SCHEMBL217722 0.82 LMNA (0.57) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL12167759 0.81 MAPT (0.73) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL11318162 0.81 MAPT (0.73) ALDH1A1KMT2AMEN1POLBHPGD

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