SCHEMBL27523391

SCHEMBL27523391

CC(C)(C)OC(=O)NC(=N)c1ccc(NC(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.45
KIF11 P52732 4/20 0.44
GLA P06280 1/20 0.44
CYP17A1 P05093 2/20 0.42
NAMPT P43490 1/20 0.42
F2 P00734 2/20 0.41
TMPRSS6 Q8IU80 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
PEPD P12955 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL7438712 0.82 ADRB2 (0.40) PRMT1F2PRSS1PRSS3MAPT
SCHEMBL18028464 0.81 KIF11 (0.54) PRMT1KIF11GLACYP17A1NAMPT
SCHEMBL15149335 0.80 MIF (0.48) MAPT
SCHEMBL617014 0.80 MAPT (0.52) ALDH1A1MAPT
SCHEMBL8898242 0.79 F7 (0.45) F2ALDH1A1
SCHEMBL32687527 0.79 RAB9A (0.49) ALDH1A1NPC1MAPT
SCHEMBL616504 0.79 CA1 (0.46) GLAALDH1A1GAAMAPT
SCHEMBL7422422 0.79 NFKB1 (0.39) CYP17A1NAMPTMAPT
SCHEMBL7158402 0.79 PPARG (0.47) ALDH1A1NPC1GAA
SCHEMBL5731734 0.78 LOXL2 (0.49) NAMPTPRSS1ST14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1208314-C Factor VIIA inhibitor (thio) urea derivatives, their preparation and their use AVENTIS PHARMA GMBH (DE) 2005-06-29 CN disclosed
CN-1427818-A Factor VIIA inhibitor (thio) urea derivatives, their preparation and their use AVENTIS PHARMA GMBH (DE) 2003-07-02 CN disclosed