SCHEMBL5594400

SCHEMBL5594400

N#CC(=Cc1ccc(O)cc1O)c1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ MAPT P10636 5/20 0.60
▸ LMNA P02545 3/20 0.60
▸ RECQL P46063 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ RAB9A P51151 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ POLB P06746 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HTT P42858 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
SCHEMBL5594744 0.85 MEN1 (0.60) MEN1KMT2AMAPTLMNARECQL
SCHEMBL12310898 0.83 MEN1 (0.76) MEN1KMT2AMAPTLMNARECQL
SCHEMBL5594992 0.83 MEN1 (0.76) MEN1KMT2AMAPTLMNARECQL
SCHEMBL10476368 0.82 MEN1 (0.52) MEN1KMT2AMAPTLMNARECQL
SCHEMBL31265796 0.81 PIK3CD (0.55) MEN1KMT2AMAPTLMNARECQL
SCHEMBL31265784 0.81 PIK3CD (0.55) MEN1KMT2AMAPTLMNARECQL
SCHEMBL31265797 0.81 PIK3CD (0.55) MEN1KMT2AMAPTLMNARECQL
SCHEMBL16532912 0.79 MEN1 (0.66) MEN1KMT2AMAPTLMNARECQL
SCHEMBL14613096 0.79 MEN1 (0.69) MEN1KMT2AMAPTLMNARECQL
SCHEMBL27983252 0.79 MEN1 (0.82) 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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