SCHEMBL6563461

SCHEMBL6563461

Cc1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.49
F2 P00734 6/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
TMPRSS6 Q8IU80 3/20 0.47
ST14 Q9Y5Y6 3/20 0.47
F10 P00742 4/20 0.40
PLAU P00749 3/20 0.40
PLAT P00750 2/20 0.40
PLG P00747 1/20 0.40
KLK1 P06870 1/20 0.40
KLK5 Q9Y337 1/20 0.40
F7 P08709 2/20 0.40
F9 P00740 1/20 0.40
F11 P03951 1/20 0.40
HPN P05981 1/20 0.39
MRGPRX1 Q96LB2 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
SCHEMBL7670899 0.93 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7669552 0.90 HPN (0.45) PRSS1PLAUHPN
SCHEMBL6563255 0.83 PRSS1 (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563743 0.82 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6561827 0.82 MRGPRX1 (0.51) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6561878 0.82 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563625 0.82 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7674188 0.81 EGLN1 (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11135905 0.81 SMN1; SMN2 (0.52)
SCHEMBL7677130 0.80 PRSS1 (0.41) PRSS1F2PRSS2PRSS3TMPRSS6

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