SCHEMBL3458510

SCHEMBL3458510

CC1CC([O])c2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.44
BRD4 O60885 3/20 0.44
EP300 Q09472 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HSPA1A P0DMV8 1/20 0.36
PTPN7 P35236 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRPF1 P55201 1/20 0.36
HTR5A P47898 3/20 0.36
RAB9A P51151 1/20 0.36
PBRM1 Q86U86 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
NLRP3 Q96P20 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
SCHEMBL27476976 0.80 MEN1 (0.55) CREBBPBRD4EP300MAPTHTT
SCHEMBL27473680 0.80 MEN1 (0.55) CREBBPBRD4EP300MAPTHTT
SCHEMBL9384154 0.80 MEN1 (0.55) CREBBPBRD4EP300MAPTHTT
SCHEMBL27473696 0.80 MEN1 (0.55) CREBBPBRD4EP300MAPTHTT
SCHEMBL27473433 0.80 MEN1 (0.55) CREBBPBRD4EP300MAPTHTT
SCHEMBL30499386 0.80 MEN1 (0.55) CREBBPBRD4EP300MAPTHTT
SCHEMBL3458514 0.77 MAPT (0.43) CREBBPBRD4EP300MAPTHTT
SCHEMBL2608577 0.77 BRD4 (0.41) CREBBPBRD4EP300MAPTHTT
SCHEMBL2607077 0.77 BRD4 (0.41) CREBBPBRD4EP300MAPTHTT
SCHEMBL29208930 0.75 ALDH1A1 (0.51) CREBBPBRD4EP300MAPTHTT

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-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed