SCHEMBL29348447

SCHEMBL29348447

O=C1CCC(c2cccc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3)c2Cl)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.40
HSP90AB1 P08238 3/20 0.40
NAMPT P43490 1/20 0.39
HPGD P15428 1/20 0.38
CRBN Q96SW2 10/20 0.37
DDB1 Q16531 6/20 0.37
NR3C1 P04150 1/20 0.37
CREBBP Q92793 2/20 0.36
BRD4 O60885 1/20 0.36
IKZF3 Q9UKT9 3/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
CECR2 Q9BXF3 1/20 0.35

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
SCHEMBL31068305 1.00 HSP90AA1 (0.40) HSP90AA1HSP90AB1NAMPTHPGDCRBN
SCHEMBL29348412 0.87 CREBBP (0.48) HPGDCRBNDDB1CREBBPBRD4
SCHEMBL31068121 0.86 CREBBP (0.47) HPGDCRBNDDB1CREBBPBRD4
SCHEMBL29348783 0.86 CREBBP (0.47) HPGDCRBNDDB1CREBBPBRD4
SCHEMBL31637574 0.82 CRBN (0.44) CRBNDDB1CREBBPBRD4IKZF3
SCHEMBL31068259 0.82 CRBN (0.44) CRBNDDB1CREBBPBRD4IKZF3
SCHEMBL29349027 0.81 CRBN (0.41) CRBNDDB1CREBBPBRD4IKZF3
SCHEMBL31068251 0.81 CRBN (0.41) CRBNDDB1CREBBPBRD4IKZF3
SCHEMBL29348667 0.78 CRBN (0.38) CRBNDDB1IKZF3
SCHEMBL31068241 0.75 DDB1 (0.56) CRBNDDB1IKZF3

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