SCHEMBL12027433

SCHEMBL12027433

C/C(=N\O)c1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA2 P47869 1/20 0.50
CTSV O60911 2/20 0.49
CTSL P07711 2/20 0.49
PARP1 P09874 1/20 0.49
KIF11 P52732 1/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 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
SCHEMBL12027437 0.84 ALDH1A1 (0.57) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL12027620 0.83 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL29540314 0.80 GABRA1 (0.70) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL155013 0.80 GABRA1 (0.70) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL15906326 0.80 MAPT (0.59) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL9181831 0.77 MAPK1 (0.62) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL18374197 0.77 MAPK1 (0.62) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL29659390 0.76 CASP3 (0.58) ALDH1A1MEN1KMT2AKIF11MAPT
Water SCHEMBL11592403 0.75 MAPK1 (0.60) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL12722533 0.74 MAPT (0.59) ALDH1A1POLBMEN1KMT2APKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397903-A2 PHOTOACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING THE SAME LG Chem, Ltd. (KR) 2011-12-21 EP disclosed