SCHEMBL6528819

SCHEMBL6528819

COc1cccc([N+](=O)[O-])c1NCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TSHR P16473 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
BCL3 P20749 1/20 0.48
CYP3A4 P08684 2/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
CLK4 Q9HAZ1 1/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL736708 0.85 MEN1 (0.55) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL738871 0.80 KMT2A (0.61) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL20797753 0.80 ALDH1A1 (0.47) CYP2D6CYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL3390679 0.80 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL12312133 0.80 TMEM97 (0.54) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL737318 0.77 MEN1 (0.62) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL2498853 0.76 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL5157517 0.76 ALDH1A1 (0.53) KMT2AALDH1A1MAPTTDP1PKM
SCHEMBL5167871 0.76 KMT2A (0.53) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL14249377 0.75 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1MAPTLMNA

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
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed
WO-2005021547-A2 HETEROCYCLIC CANNABINOID CB2 RECEPTOR ANTAGONISTS PHARMAXIS PTY LTD. (AU) 2005-03-10 WO disclosed