SCHEMBL9621791

SCHEMBL9621791

O=[N+]([O-])c1cc(O)[c]cc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.42
NSD2 O96028 1/20 0.42
GAA P10253 1/20 0.42
PLCG1 P19174 1/20 0.42
DNMT1 P26358 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
NT5E P21589 1/20 0.36
GPR35 Q9HC97 5/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
VCAM1 P19320 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL8426114 0.78 VCAM1 (0.40) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL6633235 0.74 HSD17B10 (0.33) ALDH1A1HPGDTDP1NT5E
SCHEMBL1999254 0.74 HPGD (0.46) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL11650920 0.73 CA12 (0.49) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL6255476 0.73 ALDH1A1 (0.49) ALDH1A1HPGDTDP1CA12CA9
SCHEMBL3182608 0.71 ALDH1A1 (0.45) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL906472 0.70 KMT2A (0.47) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL9621749 0.70 NT5E (0.43) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL30714322 0.70 S100A4 (0.47) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL5305532 0.70 S100A4 (0.47) CASP6NSD2GAAPLCG1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278910-B1 HEAVY METAL COMPLEX DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1992-01-22 EP claimed
US-4960870-A DYEING WOOL, POLYAMIDES; FIBER REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1990-10-02 US claimed
US-4960870-A DYEING WOOL, POLYAMIDES; FIBER REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed