SCHEMBL6682431

SCHEMBL6682431

CC1=NN(C)C(=O)/C1=C\C=C\C=C\c1c(C)nn(C)c1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 4/20 0.33
▸ MAPK1 P28482 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL6682436 1.00 ALDH1A1 (0.35) ALDH1A1GAAMAPTMAPK1KMT2A
SCHEMBL22314252 0.95 ALDH1A1 (0.36) ALDH1A1GAAMAPTMAPK1KMT2A
SCHEMBL6678561 0.95 ALDH1A1 (0.36) ALDH1A1GAAMAPTMAPK1KMT2A
SCHEMBL14267880 0.81 ALDH1A1 (0.36) ALDH1A1GAAMAPTMAPK1KMT2A
SCHEMBL6679145 0.81 ALDH1A1 (0.36) ALDH1A1GAAMAPTMAPK1KMT2A
SCHEMBL6684874 0.74 HTT (0.30) HTT
SCHEMBL12715277 0.71 MAPT (0.54) ALDH1A1GAAMAPTMAPK1KMT2A
SCHEMBL6679186 0.68 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL7866881 0.68 MAPT (0.31) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL7866883 0.68 MAPT (0.31) ALDH1A1GAAMAPTKMT2AMEN1

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-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-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-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
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