SCHEMBL29079635

SCHEMBL29079635

Cc1nn(C2CCC(=O)NC2=O)c2cccc(OCCCN3CCNCC3)c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 9/20 0.41
▸ DDB1 Q16531 8/20 0.41
▸ TNF P01375 2/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ CD274 Q9NZQ7 1/20 0.38
▸ IKZF3 Q9UKT9 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAP1LC3B Q9GZQ8 1/20 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
SCHEMBL29768100 1.00 CRBN (0.41) CRBNDDB1TNFEPHX2CD274
SCHEMBL29768218 0.86 CRBN (0.42) CRBNDDB1TNFIKZF3
SCHEMBL30574628 0.85 CRBN (0.41) CRBNDDB1TNFIKZF3
SCHEMBL29079563 0.85 EPHX2 (0.46) CRBNDDB1EPHX2
SCHEMBL29768138 0.80 CRBN (0.40) CRBNDDB1TNFIKZF3
SCHEMBL31134471 0.78 DDB1 (0.47) CRBNDDB1TNFIKZF3ALDH1A1
SCHEMBL29768097 0.78 DDB1 (0.41) CRBNDDB1TNFIKZF3ALDH1A1
SCHEMBL29079636 0.78 DDB1 (0.41) CRBNDDB1TNFIKZF3ALDH1A1
SCHEMBL29768089 0.77 DDB1 (0.42) CRBNDDB1TNFIKZF3ALDH1A1
SCHEMBL29079658 0.77 DDB1 (0.42) CRBNDDB1TNFIKZF3ALDH1A1

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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