SCHEMBL6678634

SCHEMBL6678634

CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1=CC=CC=Cc1c(C)nn(-c2ccc(S(=O)(=O)O)cc2)c1O.[KH].[KH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 9/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 10/20 0.43
KMT2A Q03164 10/20 0.43
MAPK1 P28482 8/20 0.43
MEN1 O00255 8/20 0.43
L3MBTL1 Q9Y468 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 6/20 0.43
POLB P06746 6/20 0.43
PKM P14618 2/20 0.43
OPRK1 P41145 2/20 0.43
RECQL P46063 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6678627 1.00 KAT8 (0.48) KAT8CA1CA2CA9ALDH1A1
SCHEMBL3188484 0.99 KAT8 (0.48) KAT8CA1CA2CA9ALDH1A1
SCHEMBL6680125 0.99 KAT8 (0.48) KAT8CA1CA2CA9ALDH1A1
SCHEMBL4825033 0.99 KAT8 (0.48) KAT8CA1CA2CA9ALDH1A1
SCHEMBL13763582 0.99 KAT8 (0.48) KAT8CA1CA2CA9ALDH1A1
SCHEMBL6680116 0.95 CA1 (0.53) KAT8CA1CA2CA9ALDH1A1
SCHEMBL14197585 0.95 CA1 (0.53) KAT8CA1CA2CA9ALDH1A1
SCHEMBL6679978 0.95 CA1 (0.53) KAT8CA1CA2CA9ALDH1A1
SCHEMBL10036042 0.95 CA1 (0.53) KAT8CA1CA2CA9ALDH1A1
Potassium Ion SCHEMBL6678631 0.90 CA1 (0.48) KAT8CA1CA2CA9ALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033965-B1 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS WELLA AG (DE) 2004-11-24 EP claimed
EP-0980236-B1 COLOURANT AND METHOD FOR PRODUCING TEMPORARY HAIR COLOURS WELLA AG (DE) 2003-04-23 EP claimed
US-6361571-B1 USING TAUTOMERIC NONOXIDATIVE DYES AND POLYMETHINE DYES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-26 US claimed
US-6312478-B1 TWO COMPONENT KIT; ONE COMPONENT IS A COLORANT COMPRISING A MONOMETHINE OR POLYMETHINE DYE; SECOND COMPONENT CONSISTING OF A DECOLORIZING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2001-11-06 US claimed
EP-1033965-A2 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS Wella Aktiengesellschaft (DE) 2000-09-13 EP claimed
WO-1999059529-A2 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO claimed
EP-1033965-B1 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS WELLA AG (DE) 2004-11-24 EP disclosed
EP-0980236-B1 COLOURANT AND METHOD FOR PRODUCING TEMPORARY HAIR COLOURS WELLA AG (DE) 2003-04-23 EP disclosed
US-6361571-B1 USING TAUTOMERIC NONOXIDATIVE DYES AND POLYMETHINE DYES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
US-6312478-B1 TWO COMPONENT KIT; ONE COMPONENT IS A COLORANT COMPRISING A MONOMETHINE OR POLYMETHINE DYE; SECOND COMPONENT CONSISTING OF A DECOLORIZING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2001-11-06 US disclosed
EP-1033965-A2 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS Wella Aktiengesellschaft (DE) 2000-09-13 EP disclosed
EP-0980236-A1 COLOURANT AND METHOD FOR PRODUCING TEMPORARY HAIR COLOURS Wella Aktiengesellschaft (DE) 2000-02-23 EP disclosed
WO-1999059529-A2 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
WO-1999044569-A1 COLOURANT AND METHOD FOR PRODUCING TEMPORARY HAIR COLOURS WELLA AKTIENGESELLSCHAFT (DE) 1999-09-10 WO disclosed