SCHEMBL9722951

SCHEMBL9722951

O=S(=O)(O)c1ccc(Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.68
CASP6 P55212 4/20 0.68
NSD2 O96028 3/20 0.68
DUSP3 P51452 2/20 0.68
PTPN5 P54829 2/20 0.68
PTPN11 Q06124 2/20 0.68
CASP7 P55210 1/20 0.68
SNCA P37840 2/20 0.60
CTDSP1 Q9GZU7 1/20 0.56
SIRT1 Q96EB6 1/20 0.54
NT5E P21589 3/20 0.52
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
CYP2C9 P11712 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C19 P33261 1/20 0.44
CYP1A2 P05177 1/20 0.42

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
SCHEMBL9236771 0.95 PRMT1 (0.74) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL30213847 0.95 PRMT1 (0.74) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL1485982 0.91 CASP6 (0.82) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL29445517 0.91 CASP6 (0.82) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL29240845 0.90 PRMT1 (0.63) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL8990545 0.90 CASP6 (0.73) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL9270614 0.90 SNCA (0.71) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL9682571 0.89 CASP6 (0.84) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL9513391 0.88 CASP6 (0.68) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL8574929 0.87 PRMT1 (0.64) PRMT1CASP6NSD2DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5092903-A PROCESS FOR DYEING OR PRINTING BLENDS OF CELLULOSIC FIBRE MATERIALS AND SILK WITH DIHALO-PROPIONAMIDO OR HALO-ACRYL AMIDO REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1992-03-03 US disclosed
EP-0356394-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-02-28 EP disclosed