SCHEMBL5594939

SCHEMBL5594939

Cc1cc(C=C(C#N)c2nc3ccccc3s2)cc(C)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
MAPT P10636 6/20 0.66
RECQL P46063 3/20 0.66
LMNA P02545 3/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 4/20 0.61
POLB P06746 2/20 0.61
HTT P42858 2/20 0.61
THRB P10828 1/20 0.61
BLM P54132 1/20 0.61
MCL1 Q07820 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
MAPK1 P28482 1/20 0.59
RAB9A P51151 3/20 0.58
HPGD P15428 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57

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
SCHEMBL5594276 0.85 MEN1 (0.78) MEN1KMT2AMAPTRECQLLMNA
SCHEMBL30589724 0.85 MEN1 (0.78) MEN1KMT2AMAPTRECQLLMNA
SCHEMBL27983252 0.83 MEN1 (0.82) MEN1KMT2AMAPTRECQLLMNA
SCHEMBL5594992 0.82 MEN1 (0.76) MEN1KMT2AMAPTRECQLLMNA
SCHEMBL12310898 0.82 MEN1 (0.76) MEN1KMT2AMAPTRECQLLMNA
SCHEMBL17131903 0.80 MEN1 (1.00) MEN1KMT2AMAPTRECQLLMNA
SCHEMBL17131948 0.80 MEN1 (1.00) MEN1KMT2AMAPTRECQLLMNA
SCHEMBL21023357 0.79 MEN1 (0.66) MEN1KMT2AMAPTRECQLLMNA
SCHEMBL2522254 0.79 MEN1 (0.74) MEN1KMT2AMAPTRECQLLMNA
SCHEMBL2886066 0.79 MEN1 (0.74) MEN1KMT2AMAPTRECQLLMNA

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