SCHEMBL6562387

SCHEMBL6562387

COC(=O)CCN(C(=O)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
F2 P00734 10/20 0.47
SLC22A2 O15244 1/20 0.47
F10 P00742 1/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
PROC P04070 1/20 0.47
HPN P05981 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
SLC47A2 Q86VL8 1/20 0.47

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
SCHEMBL6562343 0.93 F2 (0.54) NQO2ALDH1A1MAPK1MEN1GAA
SCHEMBL6565269 0.88 ALDH1A1 (0.45) NQO2ALDH1A1MAPK1MEN1GAA
SCHEMBL6561967 0.86 F2 (0.42) NQO2ALDH1A1MAPK1MEN1GAA
SCHEMBL6563152 0.82 F2 (0.43) NQO2ALDH1A1MAPK1MEN1GAA
SCHEMBL6564395 0.82 NQO2 (0.63) NQO2ALDH1A1MAPK1MEN1GAA
SCHEMBL6565357 0.81 F2 (0.37) NQO2ALDH1A1MAPK1MEN1GAA
SCHEMBL6563517 0.79 F2 (0.45) NQO2ALDH1A1MAPK1MEN1GAA
SCHEMBL6565360 0.79 F2 (0.59) NQO2SMN1; SMN2HSD17B10F2SLC22A2
SCHEMBL6562044 0.78 NQO2 (0.37) NQO2F2F10PRSS1TMPRSS15
SCHEMBL6563280 0.78 NQO2 (0.35) NQO2ALDH1A1MAPK1MEN1GAA

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