SCHEMBL5594934

SCHEMBL5594934

CCN(CC)c1ccc(C=C(C#N)c2nc3ccccc3s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.65
▸ KMT2A Q03164 9/20 0.65
▸ MAPT P10636 8/20 0.65
▸ LMNA P02545 5/20 0.65
▸ RECQL P46063 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ ALDH1A1 P00352 5/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ HTT P42858 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ THRB P10828 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL20882975 1.00 MEN1 (0.65) MEN1KMT2AMAPTLMNARECQL
SCHEMBL27983251 0.87 MEN1 (0.70) MEN1KMT2AMAPTLMNARECQL
SCHEMBL23171612 0.86 MEN1 (0.61) MEN1KMT2AMAPTLMNARECQL
SCHEMBL10476368 0.85 MEN1 (0.52) MEN1KMT2AMAPTLMNARECQL
SCHEMBL29612077 0.84 MEN1 (0.65) MEN1KMT2AMAPTLMNARECQL
SCHEMBL28589530 0.84 MEN1 (0.65) MEN1KMT2AMAPTLMNARECQL
SCHEMBL20882989 0.84 MEN1 (0.51) MEN1KMT2AMAPTLMNARECQL
SCHEMBL21037425 0.84 MEN1 (0.61) MEN1KMT2AMAPTLMNARECQL
SCHEMBL27983252 0.83 MEN1 (0.82) MEN1KMT2AMAPTLMNARECQL
SCHEMBL5594992 0.82 MEN1 (0.76) MEN1KMT2AMAPTLMNARECQL

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 3 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 disclosed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 — — EP disclosed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 — — WO disclosed
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