SCHEMBL5594635

SCHEMBL5594635

CN(C)c1ccc(/C=C\C=C(\C#N)c2nc3ccccc3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.57
▸ KMT2A Q03164 7/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MAPT P10636 6/20 0.55
▸ APP P05067 2/20 0.55
▸ INSR P06213 1/20 0.55
▸ NCOA1 Q15788 1/20 0.55
▸ RECQL P46063 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ GAA P10253 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47

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
SCHEMBL5594636 1.00 MEN1 (0.57) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL27983251 0.86 MEN1 (0.70) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL31326827 0.83 APP (0.46) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL5594806 0.78 MAPT (0.62) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL5594804 0.78 MAPT (0.62) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL687036 0.76 MEN1 (0.60) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL15659878 0.76 MEN1 (0.60) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL14964957 0.76 MAPT (0.69) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL14964958 0.76 MAPT (0.69) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL687035 0.76 MEN1 (0.60) MEN1KMT2ARAB9ASMN1; SMN2LMNA

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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