SCHEMBL6572695

SCHEMBL6572695

C[n+]1ccn(CC(=O)Nc2ccc(NS(C)(=O)=O)c(O)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
TSHR P16473 2/20 0.39
ADRB3 P13945 3/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4B Q07343 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36

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
Hydrochloric Acid SCHEMBL5469099 0.99 HPGD (0.39) HPGDTSHRADRB3LMNASMN1; SMN2
SCHEMBL6946140 0.89 HPGD (0.44) HPGDTSHRLMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6939292 0.88 HPGD (0.43) HPGDTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL7807694 0.87 MCL1 (0.46) HPGDTSHRLMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7160334 0.86 MCL1 (0.45) HPGDTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL6943122 0.85 POLB (0.43) HPGDTSHRLMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6944277 0.84 POLB (0.42) HPGDTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL6945393 0.83 ALDH1A1 (0.41) HPGDTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL6943594 0.83 POLB (0.40) HPGDTSHRLMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6941708 0.83 ALDH1A1 (0.40) HPGDTSHRLMNASMN1; SMN2ALDH1A1

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-1066264-B1 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS OREAL (FR) 2004-11-17 EP claimed
EP-1066264-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042971-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066264-B1 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS OREAL (FR) 2004-11-17 EP disclosed
EP-1066264-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042971-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed