SCHEMBL4625857

SCHEMBL4625857

Cc1ccc2c(c1)N(C)C(c1ccc(C=O)cc1)S2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ CYP2A6 P11509 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ ALDH1A3 P47895 2/20 0.31

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
SCHEMBL3731249 0.81 ALOX5 (0.35) ALOX5CYP2A6ALDH1A1
SCHEMBL3743379 0.69 DRD2 (0.39) CYP2A6ALDH1A1
SCHEMBL6519850 0.68 PDGFRB (0.42) ALOX5ALDH1A1HTR7
SCHEMBL8469408 0.62 CYP2A6 (1.00) CYP2A6ALDH1A1ALDH1A3
P-Xylene SCHEMBL10939332 0.62 CYP2A6 (1.00) CYP2A6ALDH1A1ALDH1A3
SCHEMBL29171 0.62 — —
SCHEMBL30986852 0.62 MAOA (0.41) ALDH1A1
SCHEMBL13863393 0.61 CYP2A6 (0.84) ALOX5CYP2A6ALDH1A1
SCHEMBL13969754 0.61 CYP2A6 (0.84) ALOX5CYP2A6ALDH1A1
SCHEMBL12922328 0.61 CYP2A6 (0.84) ALOX5CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 — — EP claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 — — EP claimed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 — — EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 — — EP claimed
EP-1433469-B1 Composition for dyeing keratinous fibres HENKEL KGAA (DE) 2006-10-11 — — EP claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 — — EP claimed
EP-1200050-B1 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KGAA (DE) 2004-09-22 — — EP claimed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 — — US claimed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 — — US disclosed
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