SCHEMBL6565357

SCHEMBL6565357

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.37
NQO2 P16083 1/20 0.36
TMPRSS15 P98073 6/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6564229 0.93 F2 (0.43) F2NQO2
SCHEMBL6562044 0.92 NQO2 (0.37) F2NQO2TMPRSS15
SCHEMBL6563633 0.91 NQO2 (0.37) F2NQO2TMPRSS15
SCHEMBL6563152 0.90 F2 (0.43) F2NQO2MEN1ALDH1A1GAA
SCHEMBL6563280 0.90 NQO2 (0.35) F2NQO2TMPRSS15MEN1ALDH1A1
SCHEMBL6565451 0.85
SCHEMBL6563705 0.84 PRSS1 (0.35) F2NQO2
SCHEMBL6563331 0.83 F2 (0.43) F2
SCHEMBL6563563 0.83 SMN1; SMN2 (0.38) F2ALDH1A1L3MBTL1
SCHEMBL7676372 0.83 F2 (0.43) F2

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