SCHEMBL8445210

SCHEMBL8445210

CCSc1cc(NC(C)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
THRB P10828 1/20 0.52
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.49
PDE7A Q13946 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 2/20 0.45
ALDH3A1 P30838 1/20 0.44
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
KCNJ8 Q15842 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
SCHEMBL8444661 0.86 HTT (0.52) HTTTHRBALDH1A1POLBL3MBTL1
SCHEMBL8447846 0.85 GSTP1 (0.57) HTTTHRBALDH1A1POLBL3MBTL1
SCHEMBL31171014 0.84 MAPT (0.54) HTTTHRBALDH1A1POLBL3MBTL1
SCHEMBL8444657 0.84 HTT (0.58) HTTTHRBALDH1A1POLBL3MBTL1
SCHEMBL8522113 0.80 ALDH1A1 (0.49) HTTALDH1A1L3MBTL1HPGDPDE7A
SCHEMBL12983948 0.80 HTT (0.60) HTTALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL8521228 0.80 ALDH1A1 (0.43) HTTTHRBALDH1A1POLBL3MBTL1
SCHEMBL8444659 0.80 HTT (0.53) HTTTHRBALDH1A1POLBL3MBTL1
SCHEMBL11526803 0.79 HTT (0.71) HTTALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL8447844 0.77 HTT (0.51) HTTTHRBALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656202-B1 Dyeing composition containing sulphurous p-phenylene-diamines, sulphurous p-phenylenediamines and method of preparation OREAL (FR) 1999-05-06 EP claimed
EP-0656202-A1 Dyeing composition containing sulphurous p-phenylene-diamines, novel sulphurous p-phenylenediamines and method of preparation L'OREAL (FR) 1995-06-07 EP claimed
EP-0656202-B1 Dyeing composition containing sulphurous p-phenylene-diamines, sulphurous p-phenylenediamines and method of preparation OREAL (FR) 1999-05-06 EP disclosed
US-5542952-A DEVELOPERS THAT FORM STABLE OXIDATION HAIR DYES L'OREAL (FR) 1996-08-06 US disclosed
EP-0656202-A1 Dyeing composition containing sulphurous p-phenylene-diamines, novel sulphurous p-phenylenediamines and method of preparation L'OREAL (FR) 1995-06-07 EP disclosed