SCHEMBL6575877

SCHEMBL6575877

COc1cc(NS(C)(=O)=O)c(O)cc1NC(=O)C[N+]1(C)CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPT P10636 4/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL6573313 0.99 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7798697 0.87 TRIM24 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6944278 0.86 GAA (0.43) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6943626 0.86 GAA (0.43) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6943658 0.86 KMT2A (0.40) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6939899 0.86 KMT2A (0.40) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL7158144 0.86 TRIM24 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6572851 0.85 POLB (0.38) ALDH1A1SMN1; SMN2PIK3CDPIK3R1PIK3CA
Hydrochloric Acid SCHEMBL6939671 0.85 KMT2A (0.40) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL6943709 0.85 GAA (0.42) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1

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