SCHEMBL6561978

SCHEMBL6561978

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.39
F2 P00734 8/20 0.36
F10 P00742 8/20 0.36
F7 P08709 5/20 0.36
PLG P00747 5/20 0.36
F3 P13726 4/20 0.36
PLAU P00749 5/20 0.35
PLAT P00750 5/20 0.35
KLK1 P06870 2/20 0.35
KLK5 Q9Y337 2/20 0.35
ADORA2A P29274 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
PRSS1 P07477 2/20 0.33
MRGPRX1 Q96LB2 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
SCHEMBL6562060 0.88 PLA2G7 (0.39) PLA2G7ADORA2AEGLN1
SCHEMBL6563277 0.81 F2 (0.41) F2F10F7PLGF3
SCHEMBL6563630 0.80 LMNA (0.37) F2F10F7PLGF3
SCHEMBL7675036 0.77 F10 (0.42) F2F10F7PLGF3
SCHEMBL6565886 0.77 F7 (0.35) F2F10F7PLGF3
SCHEMBL6565349 0.76 F2 (0.38) F2F10F7PLGF3
SCHEMBL6563588 0.76 F2 (0.41) F2F10F7PLGF3
SCHEMBL6561958 0.75 ACACB (0.49) F2F10F7PLGF3
SCHEMBL7675063 0.74 F2 (0.48) F2F10PLGPLAUPLAT
SCHEMBL7677130 0.73 PRSS1 (0.41) F2KLK1KLK5PRSS1

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