SCHEMBL6563277

SCHEMBL6563277

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.41
F10 P00742 8/20 0.41
PLAU P00749 6/20 0.41
PLAT P00750 6/20 0.41
PLG P00747 5/20 0.41
KLK1 P06870 2/20 0.41
KLK5 Q9Y337 2/20 0.41
F7 P08709 4/20 0.41
F3 P13726 3/20 0.41
ASIC3 Q9UHC3 1/20 0.38
PRSS1 P07477 3/20 0.38
MRGPRX1 Q96LB2 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL6563737 0.90 EGLN1 (0.45) EGLN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7675063 0.89 F2 (0.48) F2F10PLAUPLATPLG
SCHEMBL6563625 0.87 PRSS1 (0.43) F2F10F7F3ASIC3
SCHEMBL6563213 0.87 KMT2A (0.39) F2PLAUPLGPRSS1EGLN1
SCHEMBL6565256 0.84 AKR1C3 (0.44) F2F10PLAUPLATPLG
SCHEMBL6563680 0.84 PPARG (0.40) PLAUKLK1KLK5ASIC3PRSS1
SCHEMBL7675036 0.83 F10 (0.42) F2F10PLAUPLATPLG
SCHEMBL6563588 0.82 F2 (0.41) F2F10PLAUPLATPLG
SCHEMBL6565349 0.82 F2 (0.38) F2F10PLAUPLATPLG
SCHEMBL7677481 0.81 F2 (0.47) F2F10PLAUPLATPLG

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed