SCHEMBL6561967

SCHEMBL6561967

Cc1cc(C(=O)N(C)c2ccccn2)c(C)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.42
NQO2 P16083 2/20 0.42
F10 P00742 2/20 0.42
PLG P00747 2/20 0.42
PLAT P00750 2/20 0.42
SLC22A2 O15244 1/20 0.42
PROC P04070 1/20 0.42
HPN P05981 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
SLC47A2 Q86VL8 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
PLAU P00749 2/20 0.35
KLK1 P06870 1/20 0.35
KLK5 Q9Y337 1/20 0.35
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6563517 0.91 F2 (0.45) F2NQO2F10PLGPLAT
SCHEMBL6562343 0.88 F2 (0.54) F2NQO2F10PLGPLAT
SCHEMBL6565956 0.86 PLAU (0.49) F2F10PLGPLATPLAU
SCHEMBL6562387 0.86 NQO2 (0.51) F2NQO2F10PLGPLAT
SCHEMBL6565295 0.86 PPARG (0.36) F2NQO2F10PLGPLAT
SCHEMBL6563093 0.84 NQO2 (0.32) F2NQO2F10PLGPLAT
SCHEMBL7672248 0.84 F2 (0.40) F2F10PLGPLATPRSS1
SCHEMBL6562008 0.81 F2 (0.38) F2F10PLGPLATPRSS1
SCHEMBL6563422 0.80 PRSS1 (0.42) F2NQO2F10PLGPLAT
SCHEMBL6562043 0.80 PLAU (0.37) F2F10PLGPLATHPN

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 3 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 claimed
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