SCHEMBL21500534

SCHEMBL21500534

ONC(O)c1cccc2c1CN(c1nc3ccncc3[nH]1)C2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 10/20 0.48
HDAC6 Q9UBN7 4/20 0.40
TIPARP Q7Z3E1 1/20 0.33
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
NAMPT P43490 1/20 0.32
HPSE Q9Y251 1/20 0.31

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
SCHEMBL21500527 0.87 HDAC11 (0.63) HDAC11HDAC6
SCHEMBL21496713 0.79 HDAC11 (0.77) HDAC11HDAC6
SCHEMBL30039411 0.79 HDAC11 (0.77) HDAC11HDAC6
SCHEMBL21500532 0.74 HDAC11 (0.46) HDAC11HDAC6TIPARP
SCHEMBL21496714 0.72 HDAC11 (0.52) HDAC11HDAC6
SCHEMBL21500452 0.68 HDAC11 (0.41) HDAC11TIPARP
SCHEMBL21500519 0.68 HDAC11 (0.63) HDAC11
SCHEMBL21500450 0.65 HDAC11 (1.00) HDAC11HDAC6
SCHEMBL30038158 0.65 HDAC11 (1.00) 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