SCHEMBL6680081

SCHEMBL6680081

CC1=NN(c2ccccc2)C(=O)C1=CC=Cc1c(C)c(C#N)c(=O)n(-c2cccc(S(=O)(=O)O)c2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.47
▸ KMT2A Q03164 11/20 0.47
▸ ALDH1A1 P00352 10/20 0.47
▸ MAPK1 P28482 6/20 0.47
▸ HTT P42858 5/20 0.47
▸ L3MBTL1 Q9Y468 5/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ POLB P06746 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ MEN1 O00255 9/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PKM P14618 3/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ GAA P10253 3/20 0.41

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
SCHEMBL6680080 1.00 MAPT (0.47) MAPTKMT2AALDH1A1MAPK1HTT
SCHEMBL6683234 0.88 CA1 (0.47) MAPTKMT2AALDH1A1MAPK1HTT
SCHEMBL6683237 0.88 CA1 (0.47) MAPTKMT2AALDH1A1MAPK1HTT
SCHEMBL7049871 0.88 CA1 (0.46) MAPTKMT2AALDH1A1MAPK1HTT
SCHEMBL7049875 0.88 CA1 (0.46) MAPTKMT2AALDH1A1MAPK1HTT
SCHEMBL7869793 0.88 CA1 (0.46) MAPTKMT2AALDH1A1MAPK1HTT
SCHEMBL6686532 0.83 TDP2 (0.44) MAPTKMT2AALDH1A1MAPK1HTT
Potassium Ion SCHEMBL7049873 0.82 CA1 (0.46) MAPTKMT2AALDH1A1MAPK1HTT
SCHEMBL6678877 0.81 CA1 (0.39) MAPTKMT2AALDH1A1MAPK1HTT
SCHEMBL6680107 0.77 KMT2A (0.39) MAPTKMT2AALDH1A1MAPK1HTT

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
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