SCHEMBL5594916

SCHEMBL5594916

CCN(CC)c1ccc(C=CC=C(C#N)C(=O)c2cccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 8/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
POLB P06746 2/20 0.48
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
LMNA P02545 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
MAPK1 P28482 4/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
APP P05067 1/20 0.44
TDP1 Q9NUW8 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL5594913 1.00 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9361378 0.80 MEN1 (0.58) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9361374 0.80 MEN1 (0.58) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL178885 0.79 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL5594742 0.78 MAPT (0.53) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL5594739 0.78 MAPT (0.53) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11940670 0.78 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9360732 0.76 APP (0.56) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9360726 0.76 APP (0.56) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL5595043 0.74 EGFR (0.56) ALDH1A1MAPTMEN1KMT2AEGFR

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