SCHEMBL5594992

SCHEMBL5594992

N#CC(=Cc1ccc(O)cc1)c1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
MAPT P10636 6/20 0.76
LMNA P02545 3/20 0.76
RECQL P46063 2/20 0.76
KDM4E B2RXH2 1/20 0.76
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.64
POLB P06746 1/20 0.64
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 3/20 0.63
HPGD P15428 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
GLO1 Q04760 1/20 0.57
TP53 P04637 1/20 0.56

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
SCHEMBL12310898 1.00 MEN1 (0.76) MEN1KMT2AMAPTLMNARECQL
SCHEMBL27983252 0.90 MEN1 (0.82) MEN1KMT2AMAPTLMNARECQL
SCHEMBL2522250 0.88 MEN1 (0.74) MEN1KMT2AMAPTLMNARECQL
SCHEMBL2522254 0.88 MEN1 (0.74) MEN1KMT2AMAPTLMNARECQL
SCHEMBL2886066 0.88 MEN1 (0.74) MEN1KMT2AMAPTLMNARECQL
SCHEMBL2522255 0.88 MEN1 (0.74) MEN1KMT2AMAPTLMNARECQL
SCHEMBL2886067 0.88 MEN1 (0.74) MEN1KMT2AMAPTLMNARECQL
SCHEMBL17131948 0.86 MEN1 (1.00) MEN1KMT2AMAPTLMNARECQL
SCHEMBL17131903 0.86 MEN1 (1.00) MEN1KMT2AMAPTLMNARECQL
SCHEMBL9239089 0.85 MEN1 (0.73) 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