SCHEMBL880426

SCHEMBL880426

Nc1cccc(C2CC(=O)Nc3c2ccc2c3CCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 1/20 0.49
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL880487 0.86 LMNA (0.67) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL14047425 0.86 TDP1 (0.52) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL10280723 0.86 KDM4E (0.56) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL880230 0.86 KMT2A (0.67) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL880374 0.83 LMNA (0.64) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL10280623 0.83 KMT2A (0.47) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL880247 0.83 MEN1 (0.47) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL880489 0.79 LMNA (0.49) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL15359830 0.79 LMNA (0.41) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL10280622 0.77 LMNA (0.59) LMNAKMT2ANPC1MEN1RAB9A

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-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed