SCHEMBL7067504

SCHEMBL7067504

Cc1[c]c(O)n(-c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HIF1A Q16665 2/20 0.36
CASP6 P55212 4/20 0.36
NSD2 O96028 3/20 0.36
DUSP3 P51452 2/20 0.36
PTPN5 P54829 2/20 0.36
PTPN11 Q06124 2/20 0.36
PRMT1 Q99873 1/20 0.34
NT5E P21589 2/20 0.33
POLB P06746 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 2/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7063770 0.78 LMNA (0.40) ALDH1A1PTPN11NT5EPOLBSMN1; SMN2
SCHEMBL7063748 0.74 SUMO2 (0.38) NSD2DUSP3POLBRXFP1SMN1; SMN2
SCHEMBL7065733 0.74 ALDH1A1 (0.36) ALDH1A1HIF1ACASP6NSD2POLB
SCHEMBL8469484 0.71 ALDH1A1 (0.52) ALDH1A1HIF1ACASP6NSD2DUSP3
Naphthalene Trisulfonate SCHEMBL29431498 0.70 CASP6 (0.58) ALDH1A1HIF1ACASP6NSD2DUSP3
Naphthalene Trisulfonate SCHEMBL305166 0.70 CASP6 (0.58) ALDH1A1HIF1ACASP6NSD2DUSP3
Naphthalene Trisulfonate SCHEMBL306176 0.70 CASP6 (0.58) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL12653972 0.70 CASP6 (0.50) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL30679596 0.70 MAPT (0.52) ALDH1A1CASP6POLBSMN1; SMN2MEN1
SCHEMBL13461208 0.70 MAPT (0.52) ALDH1A1CASP6POLBSMN1; SMN2MEN1

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-0765965-B1 Process for deying synthetic fibrous polyamid materials DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-06-04 EP disclosed
EP-0765918-B1 Reactive dye preparations DYSTAR TEXTILFARBEN GMBH & CO (DE) 1999-07-28 EP disclosed
US-5810890-A USING SPECIFIED MIXTURE OF DYES; INCREASED BRIGHTNESS AND LEVELNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-09-22 US disclosed
US-5803930-A MIXTURE OF TWO DIFFERENT WATER SOLUBLE DYES; DYEING SYNTHETIC POLYAMIDES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-09-08 US disclosed
EP-0765918-A2 Reactive dye preparations DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed
EP-0765965-A2 Process for deying synthetic fibrous polyamid materials DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed