SCHEMBL8770517

SCHEMBL8770517

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 5/20 0.49
POLB P06746 3/20 0.48
HTT P42858 4/20 0.47
ALDH1A1 P00352 6/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
PTGES O14684 1/20 0.43
GLA P06280 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
SCHEMBL8770677 0.88 ALDH1A1 (0.52) MAPTPOLBHTTALDH1A1GAA
SCHEMBL11895517 0.78 ALDH1A1 (0.51) MAPTPOLBHTTALDH1A1GAA
SCHEMBL8770451 0.76 GAA (0.57) MAPTPOLBHTTALDH1A1GAA
SCHEMBL12424071 0.74 MAPT (0.50) MAPTPOLBALDH1A1GAAKMT2A
SCHEMBL27822622 0.73 MAPT (0.56) CA12CA9MAPTPOLBHTT
SCHEMBL8975176 0.71 MEN1 (0.44) MAPTPOLBHTTALDH1A1GAA
SCHEMBL7231705 0.71 PYCR1 (0.55) MAPTALDH1A1LMNA
SCHEMBL9847274 0.70 ALDH1A1 (0.61) CA12CA9MAPTPOLBHTT
SCHEMBL3259129 0.70 CRHBP (0.59) ALDH1A1KMT2AMEN1LMNA
SCHEMBL11061489 0.69 CRHBP (0.60) CA12CA9MAPTALDH1A1

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