SCHEMBL11239845

SCHEMBL11239845

Cc1cc([N+](=O)[O-])c(N)c(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.50
TSHR P16473 4/20 0.46
NSD2 O96028 1/20 0.45
GAA P10253 1/20 0.45
PLCG1 P19174 1/20 0.45
DNMT1 P26358 1/20 0.45
CASP6 P55212 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 3/20 0.42
NT5E P21589 2/20 0.41
CA12 O43570 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
RECQL P46063 1/20 0.39
CA1 P00915 3/20 0.38
LMNA P02545 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37

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
SCHEMBL10628543 0.81 GPR35 (0.67) GPR35TSHRNSD2GAAPLCG1
SCHEMBL10709270 0.81 CASP6 (0.63) GPR35TSHRNSD2GAAPLCG1
SCHEMBL6935992 0.81 ALDH1A1 (0.56) GPR35TSHRNSD2GAAPLCG1
SCHEMBL9397362 0.80 ALDH1A1 (0.64) TSHRGAACASP6L3MBTL1ALDH1A1
SCHEMBL2232801 0.80 GPR35 (0.61) GPR35TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL11237642 0.80 MAPT (0.57) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL6535736 0.77 GPR35 (0.59) GPR35TSHRNSD2GAAPLCG1
SCHEMBL4807396 0.76 TSHR (0.58) GPR35TSHRGAAALDH1A1CYP3A4
SCHEMBL7592333 0.76 TSHR (0.58) GPR35TSHRALDH1A1CYP3A4CA2
SCHEMBL11095256 0.75 GPR35 (0.62) GPR35TSHRL3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323682-A BLEACHING CATALYSTS CIBA GEIGY AG (CH) 1982-04-06 US disclosed
US-4216320-A Quinoxaline bleach catalysts CIBA-GEIGY AG (CH) 1980-08-05 US disclosed
US-4202698-A DYE BLEACH CATALYSTS CIBA-GEIGY AG (CH) 1980-05-13 US disclosed
US-4145217-A DYE BLEACH CATALYST CIBA-GEIGY AG (CH) 1979-03-20 US disclosed