SCHEMBL6680107

SCHEMBL6680107

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 0.39
▸ MAPT P10636 10/20 0.39
▸ MAPK1 P28482 6/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ HTT P42858 4/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 10/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ PKM P14618 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ PABPC1 P11940 1/20 0.35
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ KDM4E B2RXH2 5/20 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
SCHEMBL6680103 1.00 KMT2A (0.39) KMT2AMAPTMAPK1ALDH1A1HTT
SCHEMBL6680815 0.90 CA1 (0.35) KMT2AMAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL6680812 0.90 CA1 (0.35) KMT2AMAPTMAPK1ALDH1A1L3MBTL1
Potassium SCHEMBL7046924 0.89 CA1 (0.34) KMT2AMAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL7049716 0.89 CA1 (0.34) KMT2AMAPTMAPK1ALDH1A1L3MBTL1
Potassium Ion SCHEMBL7046922 0.89 CA1 (0.34) KMT2AMAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL6680512 0.85 MEN1 (0.42) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL6680515 0.85 MEN1 (0.42) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL6680080 0.77 MAPT (0.47) KMT2AMAPTMAPK1ALDH1A1HTT
SCHEMBL6680081 0.77 MAPT (0.47) KMT2AMAPTMAPK1ALDH1A1HTT

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 12 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
WO-1999059529-A2 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 — — WO disclosed
Send feedback