SCHEMBL22904454

SCHEMBL22904454

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 3/20 0.36
▸ HAO1 Q9UJM8 2/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ REN P00797 1/20 0.31
▸ CTSD P07339 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ GRIN1 Q05586 1/20 0.30
▸ EIF2AK2 P19525 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 1.00 TDP2 (0.36) TDP2HAO1ALOX5CHRNB4CHRNA3
SCHEMBL22904452 0.96 TDP2 (0.38) TDP2HAO1ALOX5CHRNB4CHRNA3
SCHEMBL22904496 0.88 TDP2 (0.40) TDP2HAO1ALOX5EIF2AK2
SCHEMBL22904553 0.86 TDP2 (0.39) TDP2GRIN1
SCHEMBL22904410 0.81 DDB1 (0.42) —
SCHEMBL22904412 0.81 DDB1 (0.42) —
SCHEMBL22904461 0.81 TDP2 (0.40) TDP2EIF2AK2
SCHEMBL22904154 0.77 TDP2 (0.41) TDP2EIF2AK2
SCHEMBL22904153 0.77 TDP2 (0.41) TDP2EIF2AK2
SCHEMBL22904366 0.76 TDP2 (0.45) TDP2EIF2AK2

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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