SCHEMBL29794479

SCHEMBL29794479

CNC(=O)C1CCC(N2CCN(c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 19/20 0.57
DDB1 Q16531 17/20 0.57
IKZF3 Q9UKT9 2/20 0.53
TNF P01375 1/20 0.53
IL1B P01584 1/20 0.53
TBXA2R P21731 1/20 0.53
IKZF1 Q13422 1/20 0.53
HPGDS O60760 2/20 0.50
ALDH1A1 P00352 1/20 0.47
CHRM2 P08172 1/20 0.47
OPRM1 P35372 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL29794425 0.93 CRBN (0.55) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29794475 0.91 CRBN (0.60) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29794448 0.90 CRBN (0.55) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29794416 0.83 DDB1 (0.59) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29986001 0.82 CRBN (0.62) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29794446 0.82 CRBN (0.64) CRBNDDB1IKZF3IKZF1HPGDS
SCHEMBL24474237 0.81 CRBN (0.65) CRBNDDB1IKZF3TNFIL1B
SCHEMBL26854232 0.80 CRBN (0.67) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31395384 0.80 CRBN (0.67) CRBNDDB1IKZF3TNFIL1B
SCHEMBL23267413 0.80 CRBN (0.67) CRBNDDB1IKZF3TNFIL1B

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-115043817-A SOS1 proteolysis regulator and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2022-09-13 CN disclosed