SCHEMBL9504880

SCHEMBL9504880

CN(O)C(=O)c1ccc(CC=CCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
TOP1 P11387 1/20 0.45
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ALOX5 P09917 2/20 0.41
MLYCD O95822 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ARG2 P78540 1/20 0.41

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
SCHEMBL9506078 0.81 ALOX5 (0.63) MEN1KMT2AHDAC1HDAC8ALOX5
SCHEMBL9506114 0.78 MAOB (0.62) MAOBLMNATOP1CA1CA2
SCHEMBL5020596 0.78 MAOB (0.62) MAOBLMNATOP1CA1CA2
SCHEMBL125680 0.78 HSP90AA1 (0.54) MEN1KMT2A
SCHEMBL9504873 0.76 GPR52 (0.48) ALOX5MLYCD
SCHEMBL9504867 0.76 GPR52 (0.48) ALOX5MLYCD
SCHEMBL3282793 0.75 HPGD (0.50) MEN1KMT2AALOX5
SCHEMBL23169174 0.74 MAPT (0.61)
SCHEMBL3305633 0.74 HPGD (0.62) MEN1KMT2ALMNA
SCHEMBL9877236 0.74 CA1 (0.63) MEN1KMT2ALMNAHDAC1HDAC3

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-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP claimed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US claimed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP claimed