SCHEMBL9622296

SCHEMBL9622296

Nc1ccc(Nc2cccc(S(=O)(=O)O)c2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
POLB P06746 2/20 0.54
NT5E P21589 1/20 0.51
MAPK1 P28482 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH3A1 P30838 4/20 0.48
WNK1 Q9H4A3 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NSD2 O96028 1/20 0.48
GAA P10253 1/20 0.48
APEX1 P27695 1/20 0.48
APOBEC3A P31941 1/20 0.48
RECQL P46063 1/20 0.48
CASP6 P55212 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
HSD17B10 Q99714 2/20 0.48

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
SCHEMBL10706642 0.91 TDP1 (0.59) MAPTTDP1POLBNT5EMAPK1
SCHEMBL11226639 0.91 MAPT (0.60) MAPTTDP1POLBMEN1KMT2A
SCHEMBL10628214 0.86 MAPT (0.54) MAPTTDP1POLBNT5EMAPK1
SCHEMBL3240949 0.84 MAPT (0.66) MAPTTDP1POLBNT5EMAPK1
SCHEMBL10531845 0.82 ALDH3A1 (0.55) MAPTTDP1POLBMEN1KMT2A
SCHEMBL9817053 0.81 MAPT (0.74) MAPTTDP1POLBMAPK1MEN1
SCHEMBL10721756 0.81 ALDH1A1 (0.56) MAPTTDP1POLBNT5EMAPK1
SCHEMBL11439586 0.81 NT5E (0.65) MAPTTDP1POLBNT5EMAPK1
SCHEMBL9356739 0.80 ALDH1A1 (0.74) MAPTTDP1POLBNT5EMAPK1
SCHEMBL7829819 0.80 MAPT (0.65) MAPTTDP1POLBNT5EMAPK1

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-4859206-A Hair dye preparations containing nitrodiphenylamine derivative HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-08-22 US claimed
EP-0280187-B1 HAIR DYEING COMPOSITIONS WITH DIRECT-DYEING NITRO-DIPHENYL AMINE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 1992-01-02 EP disclosed
US-4859206-A Hair dye preparations containing nitrodiphenylamine derivative HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-08-22 US disclosed