SCHEMBL8002521

SCHEMBL8002521

O=[N+]([O-])c1c[c]ccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NSD2 O96028 1/20 0.40
GAA P10253 1/20 0.40
PLCG1 P19174 1/20 0.40
DNMT1 P26358 1/20 0.40
CASP6 P55212 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 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
SCHEMBL906472 0.86 KMT2A (0.47) KMT2AMEN1NSD2GAAPLCG1
SCHEMBL3531002 0.82 VCAM1 (0.44) KMT2AMEN1CA1CA2MMP1
SCHEMBL6971370 0.78 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1
SCHEMBL57882 0.74 TSHR (0.40) KMT2AMEN1CASP6TDP1ALDH1A1
SCHEMBL5663517 0.74 TTR (0.32) ALDH1A1NT5ETSHRSMN1; SMN2
SCHEMBL151052 0.73 KMT2A (0.70) KMT2AMEN1GAACA1CA2
SCHEMBL1028675 0.73 GPR35 (0.47) KMT2AMEN1L3MBTL1CA1CA2
SCHEMBL9754556 0.73 KMT2A (0.70) KMT2AMEN1GAACA1CA2
SCHEMBL63933 0.73 KMT2A (0.70) KMT2AMEN1GAACA1CA2
SCHEMBL588012 0.73 TTR (0.41) KMT2AMEN1NSD2GAACASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594047-B1 Arylazo chromoionophores BAYER AG (US) 2000-01-05 EP claimed
US-5310888-A Calcium detection MILES INC. (US) 1994-05-10 US claimed
EP-0594047-A1 Arylazo chromoionophores Bayer Corporation (US) 1994-04-27 EP claimed
EP-0594047-B1 Arylazo chromoionophores BAYER AG (US) 2000-01-05 EP disclosed
US-5310888-A Calcium detection MILES INC. (US) 1994-05-10 US disclosed
EP-0594047-A1 Arylazo chromoionophores Bayer Corporation (US) 1994-04-27 EP disclosed