SCHEMBL6547173

SCHEMBL6547173

O=C1N=Nc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.53
S100A4 P26447 2/20 0.53
TDP1 Q9NUW8 5/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CES1 P23141 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
HSD17B10 Q99714 2/20 0.46
CASP3 P42574 2/20 0.45
CAPN9 O14815 1/20 0.45
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MCL1 Q07820 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
SCHEMBL3172442 0.85 PTPRC (0.53) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL11812939 0.85 PTPRC (0.62) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL10468798 0.80 HSD17B10 (0.53) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL10467096 0.75 PTGS2 (0.47) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL4142069 0.73 PTPRC (0.62) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL2772220 0.70 PTPRC (0.83) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL2599382 0.70 PTPRC (1.00) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL11207794 0.70 PTPRC (0.83) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL30349970 0.70 PTPRC (0.91) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL1237207 0.70 PTPRC (0.91) PTPRCS100A4TDP1ALDH1A1CYP3A4

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
WO-2019077174-A1 AMINES DERIVED FROM 2-BENZYL-5-NITROINDAZOLE WITH ANTIPROTOZOAL PROPERTIES AGAINST TRYPANOSOMA, LEISHMANIA AND TRICHOMONAS UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2019-04-25 WO claimed
EP-1044245-B1 FUNCTIONAL DYES USED AS AN INDICATOR IN AEROBICALLY HARDENING COMPOSITIONS HENKEL KGAA (DE) 2004-01-28 EP claimed
US-6518356-B1 Curable acrylated polyurethane adhesive with color indicator which shows when adhesive has accumulated enough peroxides to insure sufficient curing HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-02-11 US claimed
EP-1044245-A1 FUNCTIONAL DYES USED AS AN INDICATOR IN AEROBICALLY HARDENING COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 2000-10-18 EP claimed
WO-1999027027-A1 FUNCTIONAL DYES USED AS AN INDICATOR IN AEROBICALLY HARDENING COMPOSITIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-06-03 WO claimed
WO-1994002116-A1 NITROINDAZOLINONES AS COLORANTS FOR NATURAL AND SYNTHETIC FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-02-03 WO claimed
EP-1044245-B1 FUNCTIONAL DYES USED AS AN INDICATOR IN AEROBICALLY HARDENING COMPOSITIONS HENKEL KGAA (DE) 2004-01-28 EP disclosed
US-6518356-B1 Curable acrylated polyurethane adhesive with color indicator which shows when adhesive has accumulated enough peroxides to insure sufficient curing HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-02-11 US disclosed
EP-1077948-A1 NOVEL 1,2,5-TRISUBSTITUTED 1,2-DIHYDRO-INDAZOL-3-ONES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS A MEDICAMENT ARZNEIMITTELWERK DRESDEN GMBH (DE) 2001-02-28 EP disclosed
EP-1044245-A1 FUNCTIONAL DYES USED AS AN INDICATOR IN AEROBICALLY HARDENING COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 2000-10-18 EP disclosed
WO-1999058504-A9 NOVEL 1,2,5-TRISUBSTITUTED 1,2-DIHYDRO-INDAZOL-3-ONES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS A MEDICAMENT DRESDEN ARZNEIMITTEL (DE) 2000-02-03 WO disclosed
WO-1999058504-A1 NOVEL 1,2,5-TRISUBSTITUTED 1,2-DIHYDRO-INDAZOL-3-ONES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS A MEDICAMENT ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-11-18 WO disclosed
WO-1999027027-A1 FUNCTIONAL DYES USED AS AN INDICATOR IN AEROBICALLY HARDENING COMPOSITIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-06-03 WO disclosed
WO-1994002116-A1 NITROINDAZOLINONES AS COLORANTS FOR NATURAL AND SYNTHETIC FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-02-03 WO disclosed