SCHEMBL20459014

SCHEMBL20459014

O=C1NC(=O)C(O)(O)C(O)(O)C1N1Cc2c(NCc3ccc(CN4CCOCC4)cc3)cccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 11/20 0.47
▸ IKZF3 Q9UKT9 10/20 0.47
▸ DDB1 Q16531 2/20 0.47
▸ TNF P01375 5/20 0.46
▸ IL1B P01584 3/20 0.46
▸ IKZF1 Q13422 1/20 0.46
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ CDK5R1 Q15078 2/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ IKZF2 Q9UKS7 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
SCHEMBL21924058 0.87 CRBN (0.43) CRBNIKZF3DDB1TNFIL1B
SCHEMBL20459076 0.84 HIF1A (0.39) CRBNIKZF3DDB1TNFIL1B
SCHEMBL21281357 0.82 CRBN (0.39) CRBNIKZF3DDB1TNFIL1B
SCHEMBL20459241 0.81 CRBN (0.51) CRBNIKZF3DDB1TNFIL1B
SCHEMBL17724160 0.80 CRBN (0.71) CRBNIKZF3DDB1TNFIL1B
SCHEMBL17724106 0.80 CRBN (0.71) CRBNIKZF3DDB1TNFIL1B
SCHEMBL17724159 0.80 CRBN (0.71) CRBNIKZF3DDB1TNFIL1B
SCHEMBL19309958 0.79 CRBN (0.43) CRBNIKZF3DDB1TNFIL1B
SCHEMBL20778899 0.78 CRBN (0.66) CRBNIKZF3DDB1TNFIL1B
SCHEMBL19514508 0.78 CRBN (0.58) CRBNIKZF3DDB1TNFIL1B

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
EP-3357513-A1 PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Kangpu Biopharmaceuticals, Ltd. (CN) 2018-08-08 — — EP disclosed
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