SCHEMBL10909368

SCHEMBL10909368

Nc1ccc(C=Cc2ccc([N+](=O)[O-])c(S(=O)(=O)O)c2S(=O)(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
NT5E P21589 1/20 0.38
CYP19A1 P11511 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
APP P05067 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
PDE7A Q13946 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NSD2 O96028 1/20 0.35
GAA P10253 1/20 0.35
PLCG1 P19174 1/20 0.35

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
SCHEMBL7748981 0.88 PTGS2 (0.50) CYP19A1APPPTGS2PTGS1MEN1
SCHEMBL11451774 0.86 CYP19A1 (0.44) CYP19A1TDP1MEN1KMT2AMAPK1
SCHEMBL6247385 0.80 CYP19A1 (0.43) ALDH1A1TSHRNT5ECYP19A1TDP1
SCHEMBL7743184 0.80 PTGS2 (0.50) CYP19A1APPPTGS2PTGS1MEN1
SCHEMBL10717629 0.79 CYP19A1 (0.42) ALDH1A1TSHRNT5ECYP19A1TDP1
SCHEMBL6383875 0.78 TDP1 (0.38) ALDH1A1CYP19A1TDP1PTGS2PTGS1
SCHEMBL28213761 0.77 TDP1 (0.37) ALDH1A1CYP19A1TDP1PTGS2PTGS1
SCHEMBL8650958 0.76 CYP19A1 (0.42) CYP19A1TDP1MEN1KMT2AMAPK1
SCHEMBL9398232 0.75 ALDH1A1 (0.53) ALDH1A1TSHRCYP19A1TDP1APP
SCHEMBL9398237 0.75 ALDH1A1 (0.53) ALDH1A1TSHRCYP19A1TDP1APP

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-4568350-A Cold pad-batch process for dyeing silk or silk-containing fiber blends with reactive dyes CIBA-GEIGY CORPORATION (US) 1986-02-04 US disclosed
US-4560388-A WITH SULFO GROUP CONTAINING FIBER REACTIVE DYE CIBA-GEIGY CORPORATION (US) 1985-12-24 US disclosed
US-4330469-A Reactive dyes, processes for their manufacture and their use CIBA-GEIGY CORPORATION (US) 1982-05-18 US disclosed
US-4283331-A FIBER-REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1981-08-11 US disclosed
US-4141890-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4082739-A FIBRE-REACTIVE DYESTUFF CONTAINING A BIS-TRIAZINYLAMINO CIBA-GEIGY AG (CH) 1978-04-04 US disclosed
US-RE29585-E DYEING WOOL CIBA-GEIGY CORPORATION (US) 1978-03-21 US disclosed
US-4067864-A FOR CELLULOSE OR POLYAMIDES CIBA-GEIGY AG (CH) 1978-01-10 US disclosed
US-4039523-A YELLOW CIBA-GEIGY AG (CH) 1977-08-02 US disclosed
US-4017477-A 3-Halogeno-6-hydroxy-pyridone-(2) azo dyestuffs CIBA-GEIGY AG (CH) 1977-04-12 US disclosed
US-4001205-A WATER-SOLUBLE, FIBER-REACTIVE PHENYLAZODIHYDROXY, METHYL, CYANOPYRIDINE DYESTUFFS CIBA-GEIGY AG (CH) 1977-01-04 US disclosed
US-4001203-A Heavy metal complexes of azo dyestuffs containing a heterocyclic diazo component and the residue of 5-halogeno-2,3-dihydrozypyridine as coupling component CIBA-GEIGY AG (CH) 1977-01-04 US disclosed
US-3971738-A Heavy metal complexes of azo compounds containing a halogeno-2,3-dihydroxy pyridine coupling component CIBA-GEIGY AG (CH) 1976-07-27 US disclosed
US-3956263-A 4-Methyl-2,6-dihydroxy-3-cyanopyridine containing dyestuffs CIBA-GEIGY AG (CH) 1976-05-11 US disclosed