SCHEMBL29218135

SCHEMBL29218135

O=C1CCC(N2C(=O)c3cccc(N4CC(CN5CCN(c6ccc(Br)cc6)CC5)C4)c3C2=O)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.53
▸ DDB1 Q16531 13/20 0.53
▸ IKZF3 Q9UKT9 6/20 0.53
▸ TNF P01375 1/20 0.52
▸ IL1B P01584 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ IKZF1 Q13422 1/20 0.52
▸ BTK Q06187 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HPGDS O60760 2/20 0.46
▸ BCL2L11 O43521 1/20 0.46
▸ BCL2 P10415 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ GSPT1 P15170 1/20 0.45
▸ CSNK1A1 P48729 1/20 0.45

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
SCHEMBL29218133 0.93 CRBN (0.53) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31390315 0.86 CRBN (0.55) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29259962 0.85 CRBN (0.60) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24834648 0.85 CRBN (0.57) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29986440 0.85 CRBN (0.57) CRBNDDB1IKZF3TNFIL1B
SCHEMBL25647346 0.83 CRBN (0.61) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24481010 0.83 DDB1 (0.59) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24819465 0.82 CRBN (0.58) CRBNDDB1IKZF3TNFIL1B
SCHEMBL30135913 0.82 CRBN (0.58) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29260231 0.81 CRBN (0.60) CRBNDDB1IKZF3TNFIL1B

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
CN-117586230-A PROTAC compound for degrading EBNA1, preparation method and application thereof 南方医科大学深圳医院 2024-02-23 — — CN disclosed
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