SCHEMBL22904556

SCHEMBL22904556

CC(=O)NCc1cccc(Oc2cccc3c2C(=O)NC(=O)C3)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.39
▸ MMP13 P45452 3/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ EPHX2 P34913 2/20 0.36

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
SCHEMBL22904367 0.87 BRD4 (0.45) TDP2MMP13TP53
SCHEMBL22904366 0.81 TDP2 (0.45) TDP2
SCHEMBL22904568 0.81 MMP13 (0.39) MMP13FFAR1ALDH1A1HTTSMN1; SMN2
SCHEMBL22906345 0.79 ACHE (0.41) MMP13ALDH1A1HTTKMT2ATP53
SCHEMBL22904101 0.78 DRD2 (0.42) MTNR1AMTNR1B
SCHEMBL22904537 0.77 TDP2 (0.48) TDP2ALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL22904461 0.76 TDP2 (0.40) TDP2
SCHEMBL22904525 0.75 TDP2 (0.54) TDP2HTTKMT2A
SCHEMBL22904127 0.75 TDP2 (0.48) TDP2
SCHEMBL26473511 0.74 TDP2 (0.45) TDP2ALDH1A1HTTSMN1; SMN2KMT2A

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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