SCHEMBL8770451

SCHEMBL8770451

CN(Nc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
PTGES O14684 1/20 0.55
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
ALDH1A1 P00352 4/20 0.53
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 4/20 0.49
MAPT P10636 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 2/20 0.49
MITF O75030 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL28323076 0.85 GAA (0.55) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL1360851 0.81 GAA (0.51) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL9847274 0.80 ALDH1A1 (0.61) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL8770677 0.79 ALDH1A1 (0.52) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL8770517 0.76 CA12 (0.49) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL3836117 0.74 GAA (0.78) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL1532324 0.73 ALDH1A1 (0.58) GAAKMT2AMEN1ALDH1A1MAPT
Acetic Acid SCHEMBL27877969 0.72 MAPK1 (0.71) KMT2AMEN1ALDH1A1RECQLHSD17B10
SCHEMBL7621088 0.72 GAA (1.00) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL152811 0.72 KMT2A (0.74) GAAKMT2AMEN1ALDH1A1POLB

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-0534596-B1 Novel hydrazine compound, process for the preparation of the same, and non-linear optical organic material MITSUI PETROCHEMICAL IND (JP) 1997-09-17 EP disclosed
US-5445888-A Optical wavelength conversion element; electrooptical element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-08-29 US disclosed
EP-0534596-A2 Novel hydrazine compound, process for the preparation of the same, and non-linear optical organic material MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-03-31 EP disclosed