SCHEMBL8446725

SCHEMBL8446725

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.58
▸ TDP1 Q9NUW8 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ RECQL P46063 1/20 0.55
▸ ALOX15 P16050 2/20 0.53
▸ PDE7A Q13946 7/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PDE7B Q9NP56 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ G6PD P11413 1/20 0.39

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
SCHEMBL29593492 0.85 ALDH1A1 (0.59) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL11144762 0.85 ALDH1A1 (0.59) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL17498318 0.85 TDP1 (0.62) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL20150186 0.81 TSHR (0.64) TSHRTDP1ALDH1A1CYP3A4HSD17B10
SCHEMBL11413362 0.81 TSHR (0.53) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL8445197 0.81 TSHR (0.53) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL8448271 0.78 ALOX15 (0.51) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL11408674 0.78 MAPT (0.50) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL2935849 0.78 BACE1 (0.45) TSHRALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL5423544 0.78 PDE7A (0.42) TSHRTDP1CYP3A4PDE7AMAPK1

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 9 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 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-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 — — US 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
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 — — US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 — — US disclosed
US-3957860-A SULFAMIC ACID CIBA-GEIGY AG (CH) 1976-05-18 — — US disclosed
Send feedback