SCHEMBL23959052

SCHEMBL23959052

CNC(=O)CCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.69
HDAC1 Q13547 5/20 0.69
HDAC2 Q92769 5/20 0.69
NCOR2 Q9Y618 5/20 0.69
DDB1 Q16531 3/20 0.64
CRBN Q96SW2 3/20 0.64
STAT3 P40763 1/20 0.63
MIF P14174 4/20 0.60
PDE6D O43924 4/20 0.60
BCL2 P10415 3/20 0.59
MCL1 Q07820 3/20 0.59

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
SCHEMBL23959186 1.00 HDAC3 (0.69) HDAC3HDAC1HDAC2NCOR2DDB1
SCHEMBL24474235 0.99 HDAC3 (0.69) HDAC3HDAC1HDAC2NCOR2DDB1
Formic Acid SCHEMBL29794414 0.97 HDAC3 (0.65) HDAC3HDAC1HDAC2NCOR2DDB1
SCHEMBL23959145 0.96 HDAC3 (0.68) HDAC3HDAC1HDAC2NCOR2DDB1
Formic Acid SCHEMBL29794485 0.96 HDAC3 (0.65) HDAC3HDAC1HDAC2NCOR2DDB1
Formic Acid SCHEMBL29794445 0.93 HDAC3 (0.65) HDAC3HDAC1HDAC2NCOR2DDB1
SCHEMBL24474131 0.91 HDAC3 (0.67) HDAC3HDAC1HDAC2NCOR2DDB1
SCHEMBL24474218 0.91 HDAC3 (0.67) HDAC3HDAC1HDAC2NCOR2DDB1
SCHEMBL24474291 0.91 HDAC3 (0.67) HDAC3HDAC1HDAC2NCOR2DDB1
SCHEMBL29794429 0.91 CRBN (0.63) HDAC3HDAC1HDAC2NCOR2DDB1

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-2021216828-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-10-28 WO disclosed