SCHEMBL27684456

SCHEMBL27684456

CCN(CCO)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)c(CN)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.53
▸ NPC1 O15118 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PSMD14 O00487 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HPGD P15428 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
SCHEMBL28028272 0.92 KDR (0.56) KDRNPC1MAPTRAB9AKMT2A
SCHEMBL29482612 0.88 KDR (0.68) KDRNPC1MAPTRAB9AKMT2A
SCHEMBL2360954 0.88 KDR (0.68) KDRNPC1MAPTRAB9AKMT2A
SCHEMBL2360952 0.88 KDR (0.68) KDRNPC1MAPTRAB9AKMT2A
SCHEMBL27675735 0.86 KDR (0.58) KDRNPC1MAPTRAB9AKMT2A
SCHEMBL29356197 0.79 KDR (0.73) KDRNPC1MAPTRAB9AKMT2A
SCHEMBL17038721 0.79 KDR (0.73) KDRNPC1MAPTRAB9AKMT2A
SCHEMBL23695700 0.78 KDR (0.57) KDRNPC1MAPTRAB9AKMT2A
SCHEMBL4466001 0.76 KDR (0.48) KDRNPC1MAPTRAB9AKMT2A
SCHEMBL30341070 0.76 KDR (0.62) KDRNPC1MAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102448549-B Hair conditioning composition comprising a cationic surfactant system and a direct dye PROCTER & GAMBLE 2014-11-12 — — CN disclosed
CN-103002952-A Hair conditioning composition comprising a cationic surfactant system, a direct dye and a nonionic thickener PROCTER & GAMBLE 2013-03-27 — — CN disclosed
CN-102448549-A Hair conditioning composition comprising a cationic surfactant system and a direct dye PROCTER & GAMBLE 2012-05-09 — — CN disclosed
CN-101107328-B Dyeing agent containing cationic azacyanine dye PROCTER & GAMBLE 2011-08-10 — — CN disclosed
CN-101107327-B Use of cationic azacyanine dyes for dyeing keratin fibres PROCTER & GAMBLE 2010-09-08 — — CN disclosed
CN-101043918-B Cationic azacyanine dyes and colorants containing said dyes PROCTER & GAMBLE 2010-05-26 — — CN disclosed
CN-101678216-A Hair conditioning composition comprising amine-type cationic surfactant and direct dye PROCTER & GAMBLE 2010-03-24 — — CN disclosed
CN-101616713-A Comprise the dyestuff that special anionic thickener is used for keratin fiber PROCTER & GAMBLE (US) 2009-12-30 — — CN disclosed
CN-101151013-A Reducing colorant for keratin fibers PROCTER & GAMBLE (US) 2008-03-26 — — CN disclosed
CN-101107328-A Dyeing agent containing cationic azacyanine dye PROCTER & GAMBLE (US) 2008-01-16 — — CN disclosed
CN-101107327-A Use of cationic azacyanine dyes for dyeing keratin fibres PROCTER & GAMBLE (US) 2008-01-16 — — CN disclosed
CN-101076571-A Cationic azoazine dyes and colorants containing said compounds PROCTER & GAMBLE (US) 2007-11-21 — — CN disclosed
CN-101043918-A Cationic azacyanine dyes and colorants containing said dyes PROCTER & GAMBLE (US) 2007-09-26 — — CN disclosed
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