SCHEMBL29079630

SCHEMBL29079630

Cc1nn(C2CCC(=O)NC2=O)c2cccc(-c3cnn(CCOC4CCNCC4)c3)c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 19/20 0.41
▸ DDB1 Q16531 15/20 0.41
▸ JAK2 O60674 4/20 0.34
▸ IKZF3 Q9UKT9 3/20 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
▸ TNF P01375 1/20 0.32
▸ IL1B P01584 1/20 0.32

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
SCHEMBL30574625 1.00 CRBN (0.41) CRBNDDB1JAK2IKZF3ALDH1A1
Hydrochloric Acid SCHEMBL29079591 0.87 CRBN (0.42) CRBNDDB1JAK2IKZF3ALDH1A1
Hydrochloric Acid SCHEMBL29768012 0.87 CRBN (0.42) CRBNDDB1JAK2IKZF3ALDH1A1
SCHEMBL30574621 0.87 DDB1 (0.43) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL29079567 0.87 DDB1 (0.43) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL29768169 0.82 CRBN (0.41) CRBNDDB1JAK2IKZF3ALDH1A1
SCHEMBL29079571 0.80 CRBN (0.39) CRBNDDB1JAK2IKZF3ALDH1A1
SCHEMBL29079612 0.80 CYP1A2 (0.43) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL29079657 0.80 CYP1A2 (0.43) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL29768007 0.80 CYP1A2 (0.43) CRBNDDB1IKZF3ALDH1A1CHRM2

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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