SCHEMBL8445197

SCHEMBL8445197

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
PDE7A Q13946 8/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
RECQL P46063 1/20 0.50
ALOX15 P16050 2/20 0.49
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PDE7B Q9NP56 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL11408674 0.87 MAPT (0.50) TSHRTDP1PDE7AALDH1A1CYP3A4
SCHEMBL11408692 0.84 TSHR (0.47) TSHRTDP1PDE7AALDH1A1CYP3A4
SCHEMBL18814844 0.83 TSHR (0.49) TSHRTDP1PDE7AALDH1A1CYP3A4
SCHEMBL2777612 0.81 PDE7A (0.55) TSHRTDP1PDE7AALDH1A1MAPK1
SCHEMBL8446725 0.81 TSHR (0.58) TSHRTDP1PDE7AALDH1A1CYP3A4
SCHEMBL8446872 0.81 ALDH1A1 (0.58) TSHRTDP1PDE7AALDH1A1CYP3A4
SCHEMBL17498318 0.80 TDP1 (0.62) TSHRTDP1PDE7AALDH1A1CYP3A4
SCHEMBL11409450 0.78 GSTP1 (0.54) TSHRTDP1PDE7AALDH1A1CYP3A4
SCHEMBL11413362 0.77 TSHR (0.53) TSHRTDP1PDE7AALDH1A1CYP3A4
SCHEMBL2765848 0.75 TSHR (0.60) TSHRTDP1PDE7AALDH1A1CYP3A4

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-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
US-4239708-A P-Phenylene bis[imino(thiocarbonyl)] diphosphoramidic acid esters as anthelmentic agents AMERICAN CYANAMID COMPANY (US) 1980-12-16 US disclosed
US-4137310-A LARVICIDES AMERICAN CYANAMID COMPANY (US) 1979-01-30 US disclosed