SCHEMBL13972715

SCHEMBL13972715

CC(C)(C)S(=O)(=O)NCCCC(=O)Nc1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
F2 P00734 1/20 0.43
TMPRSS6 Q8IU80 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 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
SCHEMBL10113451 0.96 HDAC6 (0.53) MEN1KMT2ATDP1CA1CA2
SCHEMBL10115026 0.84 ALDH1A1 (0.68) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL10113440 0.84 ALDH1A1 (0.54) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL10115072 0.84 ALDH1A1 (0.54) MEN1KMT2ATDP1CA1CA2
SCHEMBL10114996 0.83 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAHDAC6
SCHEMBL10113393 0.83 ALDH1A1 (0.53) MEN1KMT2ATDP1CA1CA2
SCHEMBL10114991 0.83 ALDH1A1 (0.54) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL10115032 0.83 ALDH1A1 (0.53) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL10113406 0.83 HDAC3 (0.56) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL10113446 0.83 ALDH1A1 (0.53) MEN1KMT2ACA1CA2ALDH1A1

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-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed