SCHEMBL23729263

SCHEMBL23729263

N#CB1CCN(CCCCCOc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.52
CRBN Q96SW2 12/20 0.50
DDB1 Q16531 9/20 0.50
LRRK2 Q5S007 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.46
OPRM1 P35372 1/20 0.46
IKZF3 Q9UKT9 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
EGFR P00533 4/20 0.44

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
SCHEMBL23729487 0.95 IRAK4 (0.55) IRAK4CRBNDDB1LRRK2ALDH1A1
SCHEMBL22907356 0.87 CRBN (0.53) IRAK4CRBNDDB1LRRK2ALDH1A1
SCHEMBL20128894 0.87 MAOA (0.57) IRAK4CRBNDDB1LRRK2ALDH1A1
SCHEMBL20128892 0.86 IRAK4 (0.52) IRAK4CRBNDDB1LRRK2ALDH1A1
SCHEMBL30432431 0.85 CRBN (0.53) IRAK4CRBNDDB1LRRK2ALDH1A1
SCHEMBL23705552 0.84 CRBN (0.54) IRAK4CRBNDDB1LRRK2ALDH1A1
SCHEMBL20128895 0.84 IRAK4 (0.54) IRAK4CRBNDDB1LRRK2ALDH1A1
SCHEMBL20214792 0.83 LRRK2 (0.50) IRAK4CRBNDDB1LRRK2ALDH1A1
SCHEMBL23729483 0.82 CRBN (0.54) IRAK4CRBNDDB1LRRK2ALDH1A1
SCHEMBL21752010 0.82 LRRK2 (0.47) IRAK4CRBNDDB1LRRK2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022109396-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2022-05-27 WO disclosed
WO-2021155321-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed