SCHEMBL7065098

SCHEMBL7065098

Nc1cc[c]c2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 5/20 0.49
CASP6 P55212 4/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
NT5E P21589 3/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NSD2 O96028 2/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.39
GAA P10253 2/20 0.39
PLCG1 P19174 1/20 0.39
DNMT1 P26358 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SENP3 Q9H4L4 4/20 0.38
SENP2 Q9HC62 4/20 0.38
SENP1 Q9P0U3 4/20 0.38

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
SCHEMBL11022397 0.88 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL6631111 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL6051371 0.76 ALDH1A1 (0.59) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1413167 0.76 ALDH1A1 (0.42) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL11315411 0.75 CASP6 (0.54) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL5147228 0.72 ALDH1A1 (0.44) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL2778706 0.72 ALDH1A1 (0.48) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1807549 0.70 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1804724 0.70 SNCA (0.42) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL31437029 0.70 ALDH1A1 (0.65) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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-0765965-A2 Process for deying synthetic fibrous polyamid materials DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed
EP-0765918-A2 Reactive dye preparations DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed