SCHEMBL22904452

SCHEMBL22904452

NCCCC#Cc1cccc(Oc2cccc3c2C(=O)NC(=O)C3)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 4/20 0.38
▸ HAO1 Q9UJM8 6/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ GRIN1 Q05586 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ EIF2AK2 P19525 1/20 0.31
▸ GRM5 P41594 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ CASP9 P55211 1/20 0.30
▸ CASP6 P55212 1/20 0.30
▸ CASP8 Q14790 1/20 0.30
▸ MAP3K14 Q99558 1/20 0.30
▸ GRIA1 P42261 1/20 0.30
▸ CACNG8 Q8WXS5 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
SCHEMBL22904457 0.96 TDP2 (0.36) TDP2HAO1ALOX5GRIN1CHRNB4
SCHEMBL22904454 0.96 TDP2 (0.36) TDP2HAO1ALOX5GRIN1CHRNB4
SCHEMBL22904553 0.90 TDP2 (0.39) TDP2GRIN1CASP3CASP7CASP9
SCHEMBL22904496 0.90 TDP2 (0.40) TDP2HAO1ALOX5EIF2AK2GRM5
SCHEMBL22904102 0.81 DDB1 (0.43) HAO1
SCHEMBL22904412 0.80 DDB1 (0.42) —
SCHEMBL22904461 0.78 TDP2 (0.40) TDP2EIF2AK2
SCHEMBL22904366 0.77 TDP2 (0.45) TDP2EIF2AK2CASP3CASP7CASP9
SCHEMBL22904525 0.74 TDP2 (0.54) TDP2EIF2AK2CASP3CASP7CASP9
SCHEMBL22904127 0.73 TDP2 (0.48) TDP2EIF2AK2CASP3CASP7CASP9

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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