SCHEMBL9106099

SCHEMBL9106099

COc1cc([N+](=O)[O-])c(N)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
TDP1 Q9NUW8 6/20 0.56
MAPT P10636 7/20 0.51
ALDH1A1 P00352 5/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
KDM4E B2RXH2 2/20 0.51
PRKDC P78527 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
MCL1 Q07820 1/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 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
SCHEMBL8009996 0.92 HTT (0.58) HTTTDP1MAPTALDH1A1CYP3A4
SCHEMBL10020888 0.90 HTT (0.59) HTTTDP1MAPTALDH1A1CYP3A4
SCHEMBL3480822 0.90 ALDH1A1 (0.58) HTTTDP1MAPTALDH1A1CYP3A4
SCHEMBL6815710 0.89 HTT (0.58) HTTTDP1MAPTALDH1A1CYP3A4
SCHEMBL4799531 0.89 HTT (0.58) HTTTDP1MAPTALDH1A1CYP3A4
SCHEMBL6375580 0.86 HTT (0.55) HTTTDP1MAPTALDH1A1CYP3A4
SCHEMBL5952815 0.85 HTT (0.50) HTTTDP1MAPTALDH1A1CYP3A4
SCHEMBL5479455 0.85 HTT (0.54) HTTTDP1MAPTALDH1A1CYP3A4
SCHEMBL6376231 0.85 HTT (0.58) HTTTDP1MAPTALDH1A1CYP3A4
SCHEMBL18306111 0.84 HTT (0.49) HTTTDP1MAPTALDH1A1CYP3A4

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
US-20120141398-A1 HAIR DYE CONTAINING ONE OR MORE EDIBLE OR COSMETIC COLORS CHUANG KUO SHENG (TW) 2012-06-07 US disclosed
CN-102485201-A Hair dye containing one or more edible pigment or cosmetic pigment and hair dyeing method thereof GUOSHENG ZHUANG 2012-06-06 CN disclosed
CN-102397170-A Plant hair dye and method for dyeing hair by using same GUOSHENG ZHUANG 2012-04-04 CN disclosed