SCHEMBL29348683

SCHEMBL29348683

O=C1CCC(c2cccc(-c3ccc4c(c3)CCCN4)c2Cl)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 13/20 0.42
CRBN Q96SW2 13/20 0.42
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GSK3B P49841 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TBXAS1 P24557 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
LMNA P02545 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
SCHEMBL31068108 1.00 DDB1 (0.42) DDB1CRBNMAPTKDM4EGSK3B
SCHEMBL31068353 0.94 DDB1 (0.43) DDB1CRBNCYP1A2CYP2C9CYP11B1
SCHEMBL31068156 0.88 DDB1 (0.44) DDB1CRBNMAPTCYP1A2CYP2C9
SCHEMBL29348689 0.88 DDB1 (0.44) DDB1CRBNMAPTCYP1A2CYP2C9
SCHEMBL31068335 0.85 PGR (0.50) DDB1CRBNCYP1A2CYP11B1CYP11B2
SCHEMBL31068271 0.85 DDB1 (0.40) DDB1CRBNPDE3BPDE3A
SCHEMBL29348684 0.85 DDB1 (0.40) DDB1CRBNPDE3BPDE3A
SCHEMBL29348691 0.84 FEN1 (0.41) DDB1CRBN
SCHEMBL31068193 0.82 BRD4 (0.43) DDB1CRBN
SCHEMBL31068286 0.82 CREBBP (0.44) DDB1CRBNMAPTLMNA

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed