SCHEMBL1916068

SCHEMBL1916068

COc1cc(N)ccc1NC1=CC(=O)C(NCC=O)=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ MAPT P10636 5/20 0.36
▸ GAA P10253 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NR4A1 P22736 1/20 0.33

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
SCHEMBL123696 0.83 MAPT (0.39) MEN1APAF1CASP3KMT2APAX8
SCHEMBL11392957 0.82 MAPT (0.40) MEN1APAF1CASP3KMT2APAX8
SCHEMBL1152075 0.76 MAPT (0.37) MEN1APAF1CASP3KMT2APAX8
SCHEMBL29763992 0.67 MAPT (0.56) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL22817 0.67 MAPT (0.56) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL14453287 0.66 MAPT (0.52) MAPTGAAMAPK1SMN1; SMN2TSHR
SCHEMBL17745050 0.66 CASP3 (0.37) MEN1APAF1CASP3KMT2APAX8
SCHEMBL11682921 0.66 MAPT (0.45) MAPTGAAMAPK1SMN1; SMN2TSHR
SCHEMBL6787147 0.66 ALDH1A1 (0.55) KMT2AMAPTGAAMAPK1TSHR
SCHEMBL11383936 0.65 MEN1 (0.39) MEN1APAF1CASP3KMT2APAX8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2333018-A1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'Oréal (FR) 2011-06-15 — — EP disclosed
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