SCHEMBL29079636

SCHEMBL29079636

Cc1nn(C2CCC(=O)NC2=O)c2cccc(C#CCN3CCNCC3)c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 17/20 0.41
▸ CRBN Q96SW2 17/20 0.41
▸ IKZF3 Q9UKT9 3/20 0.36
▸ TNF P01375 1/20 0.35
▸ IL1B P01584 1/20 0.35
▸ BTK Q06187 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL29768097 1.00 DDB1 (0.41) DDB1CRBNIKZF3TNFIL1B
Trifluoroacetic Acid SCHEMBL29079580 0.94 DDB1 (0.37) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29768138 0.91 CRBN (0.40) DDB1CRBNIKZF3TNFIL1B
SCHEMBL30574646 0.88 DDB1 (0.38) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29079599 0.88 DDB1 (0.38) DDB1CRBNIKZF3TNFIL1B
SCHEMBL31560434 0.86 CRBN (0.44) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29079558 0.84 CRBN (0.40) DDB1CRBNIKZF3TNFIL1B
Hydrochloric Acid SCHEMBL29079654 0.83 CRBN (0.40) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29768091 0.83 CRBN (0.46) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29768218 0.81 CRBN (0.42) DDB1CRBNIKZF3TNFIL1B

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-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 — — CN disclosed
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