SCHEMBL9160180

SCHEMBL9160180

COc1cc(Sc2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
CYP3A4 P08684 2/20 0.56
ALOX15 P16050 1/20 0.56
PRKDC P78527 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.48
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL19033105 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL29800558 0.83 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL210330 0.83 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL21444943 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL2087809 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL10778338 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL228990 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL636598 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL8535790 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL11208688 0.77 APEX1 (0.56) ALDH1A1KDM4EMAPTCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7089959-A None JP disclosed
JP-H0789959-A NOVEL CHEMICAL LUMINESCENT COMPOUND DOUJIN KAGAKU KENKYUSHO:KK 1995-04-04 JP disclosed