SCHEMBL22904100

SCHEMBL22904100

CC(C)(C)OC(=O)NCC#Cc1cccc(Oc2cccc3c2C(=O)NC(=O)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 2/20 0.52
▸ CRBN Q96SW2 2/20 0.52
▸ PTPN11 Q06124 1/20 0.40
▸ DRD2 P14416 3/20 0.37
▸ ADRA2A P08913 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ P2RY6 Q15077 1/20 0.35
▸ HAO1 Q9UJM8 6/20 0.34
▸ TDP2 O95551 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PARP1 P09874 1/20 0.32

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
SCHEMBL22904102 0.91 DDB1 (0.43) DDB1CRBNDRD2HAO1PARP1
SCHEMBL22904410 0.89 DDB1 (0.42) DDB1CRBNDRD2
SCHEMBL22904412 0.89 DDB1 (0.42) DDB1CRBNDRD2
SCHEMBL22904364 0.85 DDB1 (0.51) DDB1CRBNPTPN11DRD2TDP2
SCHEMBL22904367 0.84 BRD4 (0.45) DDB1CRBNDRD2TDP2BRD4
SCHEMBL22904408 0.82 DRD2 (0.42) DDB1CRBNPTPN11DRD2
SCHEMBL22904409 0.81 DRD2 (0.41) DDB1CRBNPTPN11DRD2
SCHEMBL22904101 0.81 DRD2 (0.42) DRD2
SCHEMBL22904496 0.80 TDP2 (0.40) HAO1TDP2ALOX5
SCHEMBL22904413 0.79 DRD2 (0.41) DRD2

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-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
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