SCHEMBL25696458

SCHEMBL25696458

CC(C)c1ccc2c(c1)C(=O)N(C1CCC(=O)N(COC(=O)[C@H](N)C(C)C)C1=O)C2=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 11/20 0.36
DDB1 Q16531 9/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GSPT1 P15170 3/20 0.30
CSNK1A1 P48729 2/20 0.30
SALL4 Q9UJQ4 2/20 0.30
IKZF3 Q9UKT9 2/20 0.30
MAP2K2 P36507 1/20 0.30
MAP2K1 Q02750 1/20 0.30

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
SCHEMBL25696456 1.00 CRBN (0.36) CRBNDDB1ALDH1A1KDM4EMEN1
SCHEMBL3599475 0.88 L3MBTL1 (0.38) CRBNDDB1ALDH1A1KMT2ATSHR
SCHEMBL3599479 0.88 L3MBTL1 (0.38) CRBNDDB1ALDH1A1KMT2ATSHR
SCHEMBL2917208 0.88 L3MBTL1 (0.38) CRBNDDB1ALDH1A1KMT2ATSHR
Hydrochloric Acid SCHEMBL7740769 0.87 ELANE (0.39) CRBNDDB1ALDH1A1KMT2ATSHR
SCHEMBL22143927 0.81 DDB1 (0.45) CRBNDDB1ALDH1A1KDM4EMEN1
SCHEMBL14294607 0.80 CRBN (0.43) CRBNDDB1ALDH1A1KDM4EMEN1
SCHEMBL3595531 0.80 L3MBTL1 (0.40) CRBNDDB1ALDH1A1KMT2ATSHR
SCHEMBL3595533 0.80 L3MBTL1 (0.40) CRBNDDB1ALDH1A1KMT2ATSHR
SCHEMBL14294603 0.79 MAP1LC3B (0.41) CRBNDDB1ALDH1A1MEN1KMT2A

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
WO-2023088477-A1 MULTIFUNCTIONAL COMPOUND CAPABLE OF DEGRADING BTK KINASE, AND COMPOSITION AND USE 杭州和正医药有限公司 2023-05-25 WO disclosed