SCHEMBL6565256

SCHEMBL6565256

N=C(N)c1ccc(NCC#Cc2ccc(C(=O)c3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.44
F7 P08709 4/20 0.42
F3 P13726 4/20 0.42
CDC25B P30305 2/20 0.42
ATM Q13315 1/20 0.42
NR4A1 P22736 1/20 0.41
F2 P00734 5/20 0.41
F10 P00742 5/20 0.41
PLAU P00749 3/20 0.41
PLAT P00750 3/20 0.41
PLG P00747 3/20 0.41
KLK1 P06870 1/20 0.40
KLK5 Q9Y337 1/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
GFER P55789 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
CDC25A P30304 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6563625 0.89 PRSS1 (0.43) F7F3F2F10PRSS1
SCHEMBL6563946 0.89 KLK1 (0.42) F2F10PLAUPLATPLG
SCHEMBL7675063 0.89 F2 (0.48) F2F10PLAUPLATPLG
SCHEMBL7677481 0.88 F2 (0.47) F7F3F2F10PLAU
SCHEMBL6563277 0.84 F2 (0.41) F7F3F2F10PLAU
SCHEMBL6561827 0.82 MRGPRX1 (0.51) F7F3F2F10PLG
SCHEMBL7670899 0.82 PRSS1 (0.43) F2F10PLAUPLATPLG
SCHEMBL7674188 0.81 EGLN1 (0.44) F2F10PLAUPLATPLG
SCHEMBL7677130 0.80 PRSS1 (0.41) F2KLK1KLK5PRSS1PRSS2
SCHEMBL7670696 0.80 KMT2A (0.44) F2F10PLATPLGKLK1

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