SCHEMBL28653719

SCHEMBL28653719

O=C(O)Cc1c(C(=O)NC2CCC(=O)NC2=O)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 20/20 0.55
DDB1 Q16531 3/20 0.53
BRD4 O60885 2/20 0.48
IKZF3 Q9UKT9 1/20 0.46

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
SCHEMBL13678438 0.86 CRBN (0.66) CRBNDDB1BRD4IKZF3
SCHEMBL28649711 0.85 CRBN (0.53) CRBNDDB1BRD4IKZF3
SCHEMBL21751116 0.84 CRBN (0.64) CRBNDDB1BRD4IKZF3
SCHEMBL4779765 0.83 CRBN (0.55) CRBNDDB1BRD4IKZF3
SCHEMBL28672625 0.78 CRBN (0.51) CRBNDDB1BRD4IKZF3
SCHEMBL28668395 0.78 CRBN (0.53) CRBNDDB1BRD4IKZF3
SCHEMBL21751086 0.78 CRBN (0.69) CRBNDDB1BRD4IKZF3
SCHEMBL30822369 0.76 CRBN (0.58) CRBNDDB1BRD4IKZF3
SCHEMBL25237018 0.75 CRBN (0.57) CRBNDDB1IKZF3
SCHEMBL21751096 0.75 CRBN (0.54) CRBNDDB1BRD4IKZF3

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
CN-113480520-B Isoquinoline-1, 3(2H, 4H) -diketone derivative and application thereof 吉林大学 2022-05-13 CN disclosed
CN-113480520-A Isoquinoline-1, 3(2H,4H) -diketone derivative and application thereof 吉林大学 2021-10-08 CN disclosed