SCHEMBL11207231

SCHEMBL11207231

Nc1ccc([N+](=O)[O-])cc1OCOc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
TDP1 Q9NUW8 5/20 0.54
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 3/20 0.52
TSHR P16473 3/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.46
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PDE7A Q13946 1/20 0.43
RECQL P46063 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
LMNA P02545 1/20 0.42
IDO1 P14902 1/20 0.42
GFER P55789 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL30729438 0.90 HTT (0.68) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL755913 0.90 HTT (0.68) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL11216634 0.89 HTT (0.66) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL11220203 0.87 HTT (0.64) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL11207238 0.87 TDP1 (0.67) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL11220987 0.87 HTT (0.64) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL30729436 0.87 HTT (0.59) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL2084753 0.86 HTT (0.67) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL2471335 0.84 HTT (0.60) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL9518917 0.84 HTT (0.60) HTTTDP1ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0014432-B1 WATER SOLUBLE FIBRE REACTIVE DISAZO DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR DYEING AND PRINTING FIBROUS MATERIALS CONTAINING HYDROXYL AND CARBONAMIDE GROUPS HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-18 EP disclosed
EP-0011843-B1 DEVELOPING COMPONENTS FOR HAIR OXYDATION DYES, THEIR PREPARATION AND HAIR DYES CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1982-09-15 EP disclosed
US-4231964-A Nitroamines, processes for their manufacture and their use as diazo components HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-04 US disclosed
EP-0014432-A2 Water soluble fibre reactive disazo dyes, process for their preparation and their use for dyeing and printing fibrous materials containing hydroxyl and carbonamide groups HOECHST AKTIENGESELLSCHAFT (DE) 1980-08-20 EP disclosed
EP-0011843-A2 Developing components for hair oxydation dyes, their preparation and hair dyes containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1980-06-11 EP disclosed
US-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 US disclosed