SCHEMBL25231071

SCHEMBL25231071

O=CC(=O)C1CCC(N2Cc3c(CBr)cccc3C2=O)CN1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ HTR2B P41595 4/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ CRBN Q96SW2 5/20 0.37
▸ IKZF1 Q13422 2/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ IKZF3 Q9UKT9 3/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ IL1B P01584 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CDK4 P11802 1/20 0.32
▸ IDH1 O75874 1/20 0.31
▸ PARP1 P09874 1/20 0.30
▸ MAP1LC3B Q9GZQ8 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
SCHEMBL25419396 0.86 HTR2C (0.39) MAPK1HTR2BHTR2AHTR2CCRBN
SCHEMBL27941022 0.85 CRBN (0.51) MAPK1HTR2BHTR2AHTR2CCRBN
SCHEMBL25421957 0.85 CRBN (0.36) MAPK1HTR2BHTR2AHTR2CCRBN
SCHEMBL25422129 0.85 HTR2C (0.38) MAPK1HTR2BHTR2AHTR2CCRBN
SCHEMBL27626192 0.84 CRBN (0.49) MAPK1HTR2BHTR2AHTR2CCRBN
SCHEMBL25421672 0.84 CRBN (0.36) MAPK1HTR2BHTR2AHTR2CCRBN
SCHEMBL25423768 0.84 CRBN (0.36) MAPK1HTR2BHTR2AHTR2CCRBN
SCHEMBL25421297 0.84 CRBN (0.36) MAPK1HTR2BHTR2AHTR2CCRBN
Water SCHEMBL27977204 0.83 CRBN (0.48) MAPK1HTR2BHTR2AHTR2CCRBN
SCHEMBL25420904 0.82 HTR2A (0.39) MAPK1HTR2BHTR2AHTR2CCRBN

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 — — WO disclosed
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