SCHEMBL28723759

SCHEMBL28723759

NC(CCCC=O)C(=O)N=C=O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.31
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
APEX1 P27695 1/20 0.30
CYP2C19 P33261 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL26606339 0.78 GSR (0.53)
SCHEMBL27005 0.78 GSR (0.53)
SCHEMBL28723761 0.76 CHRM2 (0.31) CYP1A2GLATSHRNFKB1APEX1
SCHEMBL198242 0.72 GSR (0.56) CYP1A2GLATSHRNFKB1APEX1
SCHEMBL2722969 0.72 GSR (0.56) CYP1A2GLATSHRNFKB1APEX1
SCHEMBL79859 0.72 GSR (0.56) CYP1A2GLATSHRNFKB1APEX1
SCHEMBL6267086 0.72 ALOX15 (0.52) CYP1A2NFKB1
SCHEMBL4459591 0.72 GRM8 (0.34) CYP1A2NFKB1
SCHEMBL4459586 0.72 GRM8 (0.54) HIF1ACYP1A2TSHRNFKB1CYP2C19
SCHEMBL4459589 0.72 GRM8 (0.54) HIF1ACYP1A2TSHRNFKB1CYP2C19

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-114401947-A Radiolabeled compounds targeting prostate specific membrane antigen 省卫生服务机构 2022-04-26 CN disclosed