SCHEMBL8051408

SCHEMBL8051408

CC(=O)N(C(C)=O)c1cc(N)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ RECQL P46063 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.51
▸ HCAR3 P49019 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ PDE7A Q13946 2/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9516747 0.81 TSHR (0.45) TSHRALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL9687422 0.81 TDP1 (0.51) TSHRALDH1A1L3MBTL1TDP1HCAR3
SCHEMBL7809604 0.80 TSHR (0.58) TSHRALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL7800605 0.75 ALDH3A1 (0.55) TSHRALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL1887530 0.75 TSHR (0.56) TSHRALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL1254184 0.74 TDP1 (0.72) TSHRALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL2283806 0.73 MAPT (0.63) TSHRALDH1A1CYP3A4ALOX15L3MBTL1
SCHEMBL27475420 0.73 TSHR (0.43) TSHRALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL4795854 0.73 ALDH1A1 (0.59) TSHRALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL10936850 0.72 TSHR (0.55) TSHRALDH1A1CYP3A4HCAR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6160179-A Method of producing 4-nitro-m-phenylenediamine sulfate GIANNOTTI JAMES (US) 2000-12-12 — — US claimed
US-5350424-A Dyestuff composition for the gradual dyeing of hair by atmospheric oxidation and process using the same COMBE INCORPORATED (US) 1994-09-27 — — US disclosed
US-5334225-A Imparts color tone of high chroma; excellent in coloring power and fastness KAO CORPORATION (JP) 1994-08-02 — — US disclosed
EP-0593038-A1 Dyestuff composition for the gradual dyeing of hair by atmospheric oxidation and process using the same COMBE INCORPORATED (US) 1994-04-20 — — EP disclosed
EP-0299497-B1 Dye composition for keratinous fiber KAO CORP (JP) 1994-02-16 — — EP disclosed
EP-0579204-A2 Dye composition for a keratinous fiber KAO CORPORATION (JP) 1994-01-19 — — EP disclosed
US-5041608-A Dte developers KAO CORPORATION (JP) 1991-08-20 — — US disclosed
EP-0376078-A2 Dye composition for keratinous fiber KAO CORPORATION (JP) 1990-07-04 — — EP disclosed
EP-0299497-A2 Dye composition for keratinous fiber Kao Corporation (JP) 1989-01-18 — — EP disclosed
US-RE30199-E Oxidation hair dyes based upon tetraaminopyrimidine developers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1980-01-29 — — US disclosed
US-4104020-A OXIDIZABLE DEVELOPER-COUPLER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1978-08-01 — — US disclosed
US-4046503-A DEVELOPER-COUPLER HAIR DYES BASED ON ALKOXY-TRIAMINO-PYRIMIDINES HENKEL & CIE GMBH (DT) 1977-09-06 — — US disclosed
US-4043750-A OXIDATION HENKEL & CIE GMBH (DT) 1977-08-23 — — US disclosed
US-4003699-A Oxidation hair dyes based upon tetraaminopyrimidine developers HENKEL & CIE G.M.B.H. (DT) 1977-01-18 — — US disclosed
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