SCHEMBL6563152

SCHEMBL6563152

COC(=O)CCN(C(=O)c1ccccc1)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.43
NQO2 P16083 2/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC22A2 O15244 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
PROC P04070 1/20 0.38
HPN P05981 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
SLC47A2 Q86VL8 1/20 0.38
SLC47A1 Q96FL8 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
SCHEMBL6565357 0.90 F2 (0.37) F2NQO2MEN1ALDH1A1GAA
SCHEMBL6562044 0.88 NQO2 (0.37) F2NQO2F10PRSS1
SCHEMBL6563633 0.87 NQO2 (0.37) F2NQO2F10PRSS1
SCHEMBL6565418 0.86 MEN1 (0.33) F2MEN1ALDH1A1GAAMAPK1
SCHEMBL6563280 0.86 NQO2 (0.35) F2NQO2MEN1ALDH1A1GAA
SCHEMBL6564229 0.85 F2 (0.43) F2NQO2SLC22A2F10PLG
SCHEMBL6563563 0.84 SMN1; SMN2 (0.38) F2ALDH1A1L3MBTL1F10HPN
SCHEMBL6562387 0.82 NQO2 (0.51) F2NQO2MEN1ALDH1A1GAA
SCHEMBL6563331 0.81 F2 (0.43) F2
SCHEMBL6563619 0.81 F2 (0.41) F2NQO2SLC22A2F10PLG

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