SCHEMBL6567066

SCHEMBL6567066

COc1cc(CC(=O)Nc2cccc(C#Cc3ccccc3)c2)ccc1OCCN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HTT P42858 4/20 0.56
KMT2A Q03164 3/20 0.56
STAT3 P40763 2/20 0.54
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 3/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 2/20 0.53
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
KDM4E B2RXH2 2/20 0.50
EPHX2 P34913 1/20 0.49
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
USP2 O75604 1/20 0.47

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
SCHEMBL6101654 0.88 SMN1; SMN2 (0.63) LMNASMN1; SMN2HTTKMT2ASTAT3
SCHEMBL6100933 0.87 SMN1; SMN2 (0.63) LMNASMN1; SMN2HTTKMT2ASTAT3
SCHEMBL6100605 0.87 SMN1; SMN2 (0.62) LMNASMN1; SMN2HTTKMT2ASTAT3
Hydrochloric Acid SCHEMBL6099402 0.87 SMN1; SMN2 (0.62) LMNASMN1; SMN2HTTKMT2ASTAT3
SCHEMBL6100336 0.85 SMN1; SMN2 (0.60) LMNASMN1; SMN2HTTKMT2ASTAT3
SCHEMBL6100356 0.83 KMT2A (0.56) LMNASMN1; SMN2HTTKMT2ASTAT3
SCHEMBL6098671 0.83 SMN1; SMN2 (0.57) LMNASMN1; SMN2HTTKMT2ASTAT3
SCHEMBL6101129 0.83 SMN1; SMN2 (0.57) LMNASMN1; SMN2HTTKMT2ASTAT3
SCHEMBL6099067 0.82 SMN1; SMN2 (0.55) LMNASMN1; SMN2HTTKMT2ASTAT3
SCHEMBL6102164 0.82 SMN1; SMN2 (0.55) LMNASMN1; SMN2HTTKMT2ASTAT3

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-1403235-A1 N-ARYLPHENYLACETAMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2004-03-31 EP disclosed