SCHEMBL2595558

SCHEMBL2595558

CC(C)(C)OC(=O)N(CCc1ccc(F)c([N+](=O)[O-])c1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
SNCA P37840 3/20 0.40
MITF O75030 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL2593275 0.83 CRHBP (0.54) KMT2AL3MBTL1ALDH1A1MEN1LMNA
SCHEMBL2595555 0.82 NR1D1 (0.43) KMT2AL3MBTL1ALDH1A1MEN1LMNA
SCHEMBL5703802 0.81 KMT2A (0.48) KMT2AL3MBTL1ALDH1A1MEN1LMNA
SCHEMBL9823156 0.80 HDAC1 (0.54) KMT2AL3MBTL1MEN1LMNAHDAC1
SCHEMBL16468408 0.79 ALDH1A1 (0.51) KMT2AL3MBTL1ALDH1A1MEN1LMNA
SCHEMBL579800 0.78 ALDH1A1 (0.52) KMT2AL3MBTL1ALDH1A1MEN1LMNA
SCHEMBL4584322 0.78 L3MBTL1 (0.49) KMT2AL3MBTL1ALDH1A1MEN1LMNA
SCHEMBL16682344 0.78 KCNH2 (0.53) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL15498153 0.78 ALDH1A1 (0.42) KMT2AALDH1A1MEN1LMNAHDAC1
SCHEMBL6377823 0.78 ALDH1A1 (0.48) KMT2AL3MBTL1ALDH1A1HDAC1HDAC3

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
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 WO disclosed