SCHEMBL6563280

SCHEMBL6563280

COC(=O)CCN(C(=O)C1CC1)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.35
F2 P00734 8/20 0.34
TMPRSS15 P98073 5/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL6563585 0.92 F2 (0.40) NQO2F2PLGPRSS1PRSS2
SCHEMBL6565357 0.90 F2 (0.37) NQO2F2TMPRSS15MEN1ALDH1A1
SCHEMBL6562044 0.89 NQO2 (0.37) NQO2F2TMPRSS15PRSS1ITGB3
SCHEMBL6563633 0.86 NQO2 (0.37) NQO2F2TMPRSS15PRSS1ITGB3
SCHEMBL6565382 0.86
SCHEMBL6563152 0.86 F2 (0.43) NQO2F2MEN1ALDH1A1GAA
SCHEMBL7808317 0.84 NR1I2 (0.40) F2
SCHEMBL6564229 0.82 F2 (0.43) NQO2F2PLGPRSS1PRSS2
SCHEMBL6563705 0.82 PRSS1 (0.35) NQO2F2PLGPRSS1PRSS2
SCHEMBL6563331 0.81 F2 (0.43) F2ITGB3ITGA2B

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
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed