SCHEMBL16552797

SCHEMBL16552797

Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1.Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 4/20 0.88
NT5E P21589 4/20 0.88
NSD2 O96028 3/20 0.88
DUSP3 P51452 2/20 0.88
PTPN5 P54829 2/20 0.88
PTPN11 Q06124 2/20 0.88
CTDSP1 Q9GZU7 2/20 0.59
PRMT1 Q99873 2/20 0.55
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 4/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 2/20 0.54
CASP7 P55210 1/20 0.51
PLAU P00749 1/20 0.47
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
ENPP2 Q13822 1/20 0.43
CYP1A2 P05177 2/20 0.41
PTPRA P18433 1/20 0.40
PTPRB P23467 1/20 0.40

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
SCHEMBL11413465 0.94 CASP6 (1.00) CASP6NT5ENSD2DUSP3PTPN5
SCHEMBL29399528 0.94 CASP6 (1.00) CASP6NT5ENSD2DUSP3PTPN5
SCHEMBL154124 0.94 CASP6 (1.00) CASP6NT5ENSD2DUSP3PTPN5
SCHEMBL156692 0.94 NT5E (1.00) CASP6NT5ENSD2DUSP3PTPN5
SCHEMBL10332181 0.94 NT5E (1.00) CASP6NT5ENSD2DUSP3PTPN5
SCHEMBL10623050 0.94 NT5E (1.00) CASP6NT5ENSD2DUSP3PTPN5
SCHEMBL4115392 0.92 CASP6 (0.97) CASP6NT5ENSD2DUSP3PTPN5
Water SCHEMBL7701819 0.92 NT5E (0.97) CASP6NT5ENSD2DUSP3PTPN5
SCHEMBL9776668 0.92 NT5E (0.97) CASP6NT5ENSD2DUSP3PTPN5
Water SCHEMBL4869253 0.92 CASP6 (0.97) CASP6NT5ENSD2DUSP3PTPN5

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-9394445-B2 Method for continuously preparing water-soluble azo dye by coupling a nebulizer with a pipeline DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2016-07-19 US disclosed
US-20150073132-A1 METHOD FOR CONTINUOUSLY PREPARING WATER-SOLUBLE AZO DYE BY COUPLING A NEBULIZER WITH A PIPELINE DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-03-12 US disclosed