SCHEMBL23470170

SCHEMBL23470170

Nc1cc(F)cc2c1C(O)(O)N(C1(O)CCC(=O)NC1=O)C2=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 3/20 0.33
▸ CRBN Q96SW2 3/20 0.33
▸ CYP19A1 P11511 2/20 0.32

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
SCHEMBL20459229 0.81 CRBN (0.43) DDB1CRBNCYP19A1
SCHEMBL22199360 0.79 AKR1B1 (0.34) CYP19A1
SCHEMBL21281328 0.77 CYP19A1 (0.35) DDB1CRBNCYP19A1
SCHEMBL19310101 0.76 DDB1 (0.31) DDB1CRBN
SCHEMBL19309922 0.71 AKR1B1 (0.33) —
SCHEMBL21927072 0.68 AKR1B1 (0.32) CYP19A1
SCHEMBL22686890 0.65 TNF (0.36) DDB1CRBN
SCHEMBL22199340 0.65 — —
SCHEMBL21925221 0.65 — —
SCHEMBL19541433 0.64 DDB1 (0.33) DDB1CRBNCYP19A1

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-3527210-B1 COMBINED COMPOSITION COMPRISING A BENZOHETEROCYCLIC COMPOUND AND AN ANDROGEN RECEPTOR PATHWAY MODULATOR AND USES THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-06-09 — — EP disclosed
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