SCHEMBL29079641

SCHEMBL29079641

Cc1nn(C2CCC(=O)NC2=O)c2cccc(-c3cnn(C4CC5CNCC5C4)c3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.41
▸ DDB1 Q16531 15/20 0.41
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP3A5 P20815 2/20 0.36
▸ CYP3A7 P24462 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ PDK4 Q16654 2/20 0.36
▸ CYP3A43 Q9HB55 2/20 0.36
▸ IKZF3 Q9UKT9 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ TNF P01375 2/20 0.33
▸ IL1B P01584 2/20 0.33
▸ TBXA2R P21731 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
SCHEMBL29768214 1.00 CRBN (0.41) CRBNDDB1CYP1A2CYP3A4CYP3A5
SCHEMBL29768076 0.89 CYP1A2 (0.43) CRBNDDB1CYP1A2CYP3A4CYP3A5
SCHEMBL29079657 0.89 CYP1A2 (0.43) CRBNDDB1CYP1A2CYP3A4CYP3A5
SCHEMBL29079612 0.89 CYP1A2 (0.43) CRBNDDB1CYP1A2CYP3A4CYP3A5
SCHEMBL29768007 0.89 CYP1A2 (0.43) CRBNDDB1CYP1A2CYP3A4CYP3A5
SCHEMBL29079611 0.89 CYP1A2 (0.43) CRBNDDB1CYP1A2CYP3A4CYP3A5
SCHEMBL29768052 0.87 CRBN (0.42) CRBNDDB1CYP1A2CYP3A4CYP3A5
SCHEMBL29079571 0.86 CRBN (0.39) CRBNDDB1CYP1A2IKZF3ALDH1A1
SCHEMBL29768131 0.86 CRBN (0.39) CRBNDDB1CYP1A2IKZF3ALDH1A1
SCHEMBL29079660 0.85 CRBN (0.41) CRBNDDB1CYP1A2CYP3A4CYP3A5

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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