SCHEMBL21500532

SCHEMBL21500532

ONC(O)c1cccc2c1CN(c1nc3c([nH]1)CCCC3)C2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 7/20 0.46
TIPARP Q7Z3E1 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TNKS O95271 4/20 0.32
TNKS2 Q9H2K2 4/20 0.32
DCTPP1 Q9H773 1/20 0.30

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
SCHEMBL21500452 0.81 HDAC11 (0.41) HDAC11TIPARP
SCHEMBL23771348 0.81 HDAC11 (0.41) HDAC11TIPARP
SCHEMBL21500462 0.78 HDAC11 (0.72) HDAC11HDAC6ALDH1A1HPGD
SCHEMBL21500527 0.78 HDAC11 (0.63) HDAC11HDAC6
Hydrochloric Acid SCHEMBL23751077 0.77 HDAC11 (0.71) HDAC11HDAC6ALDH1A1HPGD
SCHEMBL21500534 0.74 HDAC11 (0.48) HDAC11TIPARPHDAC6
SCHEMBL21500519 0.67 HDAC11 (0.63) HDAC11ALDH1A1
SCHEMBL23771282 0.66 TIPARP (0.36) HDAC11TIPARP
SCHEMBL21496640 0.65 HDAC11 (0.68) HDAC11HDAC6
SCHEMBL21500518 0.65 HDAC11 (0.44) HDAC11TIPARP

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-2019204550-A1 ISOINDOLINES AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed