SCHEMBL28322148

SCHEMBL28322148

CCOC(=Cc1ccc(N(C)C)cc1)C(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
ALDH1A1 P00352 4/20 0.53
PSMD14 O00487 1/20 0.53
APP P05067 3/20 0.48
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MAPT P10636 6/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL5606980 0.83 CA12 (0.51) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5606977 0.83 CA12 (0.51) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL21758695 0.82 APP (0.50) MEN1KMT2AALDH1A1PSMD14APP
SCHEMBL11242541 0.82 GSK3B (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6388241 0.81 MEN1 (0.65) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8408159 0.81 MEN1 (0.65) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6233430 0.80 KMT2A (0.68) MEN1KMT2AALDH1A1PSMD14APP
SCHEMBL8377557 0.79 KMT2A (0.53) MEN1KMT2AALDH1A1PSMD14APP
SCHEMBL8377554 0.79 KMT2A (0.53) MEN1KMT2AALDH1A1PSMD14APP
SCHEMBL13172008 0.78 APP (0.63) MEN1KMT2AALDH1A1APPHDAC3

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
CN-110305024-A A kind of synthetic method of Beloranib intermediate 鲁南制药集团股份有限公司 2019-10-08 CN disclosed