SCHEMBL21500518

SCHEMBL21500518

ONC(O)c1cccc2c1CN(c1nc3ncccc3s1)C2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 3/20 0.44
HRH3 Q9Y5N1 1/20 0.41
CRBN Q96SW2 3/20 0.39
DDB1 Q16531 1/20 0.37
SCD O00767 1/20 0.36
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
LTA4H P09960 1/20 0.30
TIPARP Q7Z3E1 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
SCHEMBL21500519 0.84 HDAC11 (0.63) HDAC11
SCHEMBL21496753 0.79 HDAC11 (0.72) HDAC11HRH3CRBNDDB1
SCHEMBL21496672 0.71 HDAC11 (0.48) HDAC11HRH3CRBNDDB1SCD
SCHEMBL21500527 0.66 HDAC11 (0.63) HDAC11
SCHEMBL21500534 0.65 HDAC11 (0.48) HDAC11TIPARP
SCHEMBL21500532 0.65 HDAC11 (0.46) HDAC11TIPARP
SCHEMBL16896582 0.64 SMN1; SMN2 (0.61) HRH3CRBNDDB1SCD
SCHEMBL8096748 0.64 HRH3 (0.60) HRH3CRBNDDB1SCD
SCHEMBL29505245 0.64 SMN1; SMN2 (0.61) HRH3CRBNDDB1SCD
SCHEMBL21500496 0.62 HDAC11 (1.00) HDAC11

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