SCHEMBL29038840

SCHEMBL29038840

N#CC(Cc1ccc(I)cc1)OC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.42
DPP7 Q9UHL4 2/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CTSC P53634 4/20 0.38
CYP3A4 P08684 2/20 0.34
IDO1 P14902 2/20 0.34
EGFR P00533 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL3956406 0.84 CTSC (0.48) CTSCCYP1A2
SCHEMBL5525975 0.84 CTSC (0.48) CTSCCYP1A2
SCHEMBL28303037 0.76 PARP10 (0.52) DPP4DPP7FAPDPP8DPP9
SCHEMBL16556139 0.73 CHKA (0.49)
SCHEMBL4051389 0.69 CTSC (0.46) CTSC
SCHEMBL5526694 0.69 CTSC (0.46) CTSC
SCHEMBL28555424 0.69 DPP4 (0.36) DPP4DPP7FAPDPP8DPP9
SCHEMBL28555422 0.69 DPP4 (0.36) DPP4DPP7FAPDPP8DPP9
SCHEMBL28555420 0.69 DPP4 (0.36) DPP4DPP7FAPDPP8DPP9
SCHEMBL2075236 0.69 CYP1A2 (0.41) DPP4DPP7FAPDPP8DPP9

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-110483492-B Dipeptidyl peptidase I inhibitors 阿斯利康(瑞典)有限公司 2023-07-21 CN disclosed