SCHEMBL30984986

SCHEMBL30984986

O=C1CCC(N2C(=O)c3ccc(N4CCC(N5CCC6(CCN(c7ccc([N+](=O)[O-])cc7)CC6)CC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.62
▸ DDB1 Q16531 10/20 0.62
▸ AR P10275 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ IKZF3 Q9UKT9 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HPGDS O60760 1/20 0.42

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
SCHEMBL30985007 1.00 CRBN (0.62) CRBNDDB1ARALDH1A1CHRM2
SCHEMBL30984990 0.96 CRBN (0.59) CRBNDDB1ARALDH1A1CHRM2
SCHEMBL30985238 0.95 CRBN (0.61) CRBNDDB1ARALDH1A1CHRM2
SCHEMBL30984882 0.91 CRBN (0.61) CRBNDDB1ARALDH1A1CHRM2
SCHEMBL30984670 0.89 CRBN (0.59) CRBNDDB1ARALDH1A1CHRM2
SCHEMBL30984972 0.88 CRBN (0.60) CRBNDDB1AR
SCHEMBL30985040 0.88 CRBN (0.65) CRBNDDB1ARALDH1A1CHRM2
SCHEMBL30985055 0.88 CRBN (0.65) CRBNDDB1ARALDH1A1CHRM2
SCHEMBL30984679 0.87 CRBN (0.58) CRBNDDB1ARMEN1KMT2A
SCHEMBL30984807 0.86 CRBN (0.58) CRBNDDB1ARHPGDS

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-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 — — WO disclosed
Send feedback