SCHEMBL8444657

SCHEMBL8444657

CSc1cc(NC(C)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.51
THRB P10828 1/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
PDE7A Q13946 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 4/20 0.47
ALDH3A1 P30838 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46

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
SCHEMBL8923011 0.88 HTT (0.62) HTTSMN1; SMN2THRBLMNAPOLB
SCHEMBL8445210 0.84 HTT (0.55) HTTSMN1; SMN2THRBLMNAPOLB
SCHEMBL8444659 0.83 HTT (0.53) HTTSMN1; SMN2THRBLMNAPOLB
SCHEMBL11526803 0.82 HTT (0.71) HTTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL8444661 0.82 HTT (0.52) HTTSMN1; SMN2THRBLMNAPOLB
SCHEMBL8447846 0.81 GSTP1 (0.57) HTTSMN1; SMN2THRBLMNAPOLB
SCHEMBL8447844 0.81 HTT (0.51) HTTSMN1; SMN2THRBLMNAPOLB
SCHEMBL31171014 0.80 MAPT (0.54) HTTSMN1; SMN2THRBLMNAPOLB
SCHEMBL3164500 0.80 ALDH1A1 (0.66) HTTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL358355 0.80 HTT (0.63) HTTSMN1; SMN2LMNAPOLBKMT2A

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