SCHEMBL28515499

SCHEMBL28515499

CCOC(=O)c1cccc2c1CN(c1nc3c([nH]1)CN(C(=O)O)CC3)C2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 7/20 0.49
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
HSP90AA1 P07900 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDR P35968 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL21496761 0.93 HDAC11 (0.49) HDAC11MAPTMEN1KMT2AALDH1A1
SCHEMBL21496677 0.89 KDR (0.48) HDAC11KDR
SCHEMBL21496701 0.83 HDAC11 (0.50) HDAC11MAPTMEN1KMT2AALDH1A1
SCHEMBL25932035 0.81 HDAC11 (0.47) HDAC11MAPTMEN1KMT2AALDH1A1
SCHEMBL25932026 0.81 HDAC11 (0.47) HDAC11MAPTMEN1KMT2AALDH1A1
SCHEMBL23771284 0.78 HDAC11 (0.45) HDAC11MAPTMEN1KMT2AALDH1A1
SCHEMBL30039180 0.78 HDAC11 (0.45) HDAC11MAPTMEN1KMT2AALDH1A1
SCHEMBL23771283 0.78 HDAC11 (0.45) HDAC11MAPTMEN1KMT2AALDH1A1
SCHEMBL30039897 0.78 HDAC11 (0.45) HDAC11MAPTMEN1KMT2AALDH1A1
SCHEMBL28512205 0.78 HDAC11 (0.45) HDAC11MAPTMEN1KMT2AALDH1A1

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-112292370-A Isoindolines as HDAC inhibitors 瓦洛早期发现股份有限公司 2021-01-29 CN disclosed