SCHEMBL7068945

SCHEMBL7068945

CC(=O)Nc1cccc2cc(S(=O)(=O)O)[c]c(O)c12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.50
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
KLK7 P49862 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
MAOA P21397 2/20 0.37
POLB P06746 4/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.35
CYP1A2 P05177 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.35
CASP3 P42574 1/20 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
SCHEMBL8628437 0.82 APEX1 (0.44) CASP6ALDH1A1HPGDKDM4EMAPT
SCHEMBL11875966 0.76 TTR (0.41) ALDH1A1KDM4EPOLBCYP1A2HSD17B10
SCHEMBL7720121 0.76 CASP6 (0.67) CASP6ALDH1A1HPGDKDM4EMAPT
SCHEMBL7065409 0.75 AURKA (0.39) CASP6ALDH1A1HPGDKDM4EMAPT
SCHEMBL2615796 0.74 CASP6 (0.53) CASP6ALDH1A1HPGDKDM4EMAPT
SCHEMBL7068270 0.74 CA2 (0.48) CASP6ALDH1A1HPGDKDM4EMAPT
SCHEMBL11759224 0.73 TTR (0.59) CASP6ALDH1A1HPGDKDM4EMAPT
SCHEMBL7063764 0.72 PRMT1 (0.47) CASP6ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL7065737 0.72 ENPP2 (0.45) CASP6ALDH1A1KDM4EMAPTMAOA
SCHEMBL10506952 0.71 ALDH1A1 (0.54) CASP6ALDH1A1HPGDKDM4EMAPT

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