SCHEMBL7721392

SCHEMBL7721392

CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc(O)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.54
PKM P14618 3/20 0.45
CTSK P43235 2/20 0.45
CCR5 P51681 1/20 0.44
TGM2 P21980 4/20 0.44
F13A1 P00488 2/20 0.44
TGM1 P22735 2/20 0.44
NAMPT P43490 1/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL7698054 1.00 BRD4 (0.54) BRD4PKMCTSKCCR5TGM2
SCHEMBL24571569 0.94 PKM (0.51) BRD4PKMNAMPTKMT2AALDH1A1
SCHEMBL31437043 0.94 PKM (0.51) BRD4PKMNAMPTKMT2AALDH1A1
SCHEMBL12727844 0.87 BRD4 (0.52) BRD4SMN1; SMN2
SCHEMBL7719046 0.84 TGM2 (0.50) BRD4PKMCCR5TGM2F13A1
SCHEMBL7719040 0.84 TGM2 (0.50) BRD4PKMCCR5TGM2F13A1
SCHEMBL24711750 0.83 EPHX2 (0.62) PKMNAMPTKMT2AALDH1A1KDM4E
SCHEMBL13188666 0.82 ALOX5AP (0.49) BRD4KMT2AALOX5APFEN1EPHX2
SCHEMBL24571611 0.82 MBTD1 (0.52) BRD4PKMNAMPTKMT2AALDH1A1
SCHEMBL24711657 0.82 KMT2A (0.65) PKMNAMPTKMT2AALDH1A1SMN1; SMN2

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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed