SCHEMBL30591990

SCHEMBL30591990

[2H]c1c(C2CC(=O)N(C)C2)cccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.57
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
SRD5A1 P18405 1/20 0.41
HSD17B2 P37059 1/20 0.39

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
SCHEMBL18129442 0.86 BRD4 (0.60) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL29728437 0.86 BRD4 (0.60) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL16799733 0.86 BRD4 (0.60) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL25636537 0.80 BRD4 (0.64) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL6556310 0.74 BRD4 (1.00) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL8406210 0.74 BRD4 (1.00) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL15203831 0.74 BRD4 (1.00) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL24813390 0.72 BRD4 (0.53) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL24813384 0.72 BRD4 (0.53) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL24007585 0.71 BRD4 (0.51) BRD4PDE4APDE4BPDE4CPDE4D

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
CN-110407730-B Pyrrolidone herbicides FMC 公司 2023-09-08 CN disclosed