SCHEMBL9655293

SCHEMBL9655293

COc1cc([N+](=O)[O-])c(NCC(O)CO)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.38
NQO2 P16083 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL9501842 0.84 MAPT (0.54) MAPTMAPK1TDP1L3MBTL1KMT2A
SCHEMBL9655326 0.84 GLA (0.41) MAPTMAPK1TDP1L3MBTL1KMT2A
SCHEMBL9657643 0.81 GLA (0.42) MAPTMAPK1TDP1L3MBTL1KMT2A
SCHEMBL10577117 0.81 GLA (0.43) MAPTMAPK1KMT2AMEN1KDM4E
SCHEMBL9499752 0.80 SMN1; SMN2 (0.52) MAPTMAPK1TDP1KMT2AMEN1
SCHEMBL3337954 0.80 MAPT (0.48) MAPTMAPK1TDP1L3MBTL1KMT2A
SCHEMBL3666022 0.78 GPR35 (0.43) TDP1KMT2AMEN1GLAALDH1A1
SCHEMBL9658215 0.78 MEN1 (0.48) MAPTMAPK1TDP1L3MBTL1KMT2A
SCHEMBL5158786 0.75 MAPT (0.45) MAPTMAPK1L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL9501915 0.75 MAPT (0.44) MAPTMAPK1TDP1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289782-B1 USE OF 2,6-DINITROANILIN DERIVATIVES IN HAIR DYEING COMPOSITIONS AND NEW 2,6-DINITROANILIN DERIVATIVES Wella Aktiengesellschaft (DE) 1992-03-04 EP claimed
WO-1988008696-A1 USE OF 2,6 DINITRO-ANILINE DERIVATIVES IN HAIR TINTING AGENTS AND NEW DERIVATIVES OF 2,6 DINITRO-ANILINE WELLA AKTIENGESELLSCHAFT (DE) 1988-11-17 WO claimed
EP-0289782-A1 Use of 2,6-dinitroanilin derivatives in hair dyeing compositions and new 2,6-dinitroanilin derivatives Wella Aktiengesellschaft (DE) 1988-11-09 EP claimed
EP-0289782-B1 USE OF 2,6-DINITROANILIN DERIVATIVES IN HAIR DYEING COMPOSITIONS AND NEW 2,6-DINITROANILIN DERIVATIVES Wella Aktiengesellschaft (DE) 1992-03-04 EP disclosed
US-5030241-A Providing yellow and orange shades, with or without oxidation agent WELLA AKTIENGESELLSCHAFT (DE) 1991-07-09 US disclosed
WO-1988008696-A1 USE OF 2,6 DINITRO-ANILINE DERIVATIVES IN HAIR TINTING AGENTS AND NEW DERIVATIVES OF 2,6 DINITRO-ANILINE WELLA AKTIENGESELLSCHAFT (DE) 1988-11-17 WO disclosed
EP-0289782-A1 Use of 2,6-dinitroanilin derivatives in hair dyeing compositions and new 2,6-dinitroanilin derivatives Wella Aktiengesellschaft (DE) 1988-11-09 EP disclosed