SCHEMBL7677130

SCHEMBL7677130

N=C(N)c1ccc(NCC#Cc2ccc(C(=O)c3ccncc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F2 P00734 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
TMPRSS6 Q8IU80 3/20 0.40
ST14 Q9Y5Y6 3/20 0.40
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
MEN1 O00255 1/20 0.38

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 0.88 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563625 0.88 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7676492 0.88 CCNA2 (0.41) PRSS1NPSR1F2PRSS2PRSS3
SCHEMBL7674188 0.86 EGLN1 (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563325 0.85 KMT2A (0.50) KMT2ANPSR1MEN1
SCHEMBL7670696 0.83 KMT2A (0.44) PRSS1KMT2AF2PRSS2PRSS3
SCHEMBL7678064 0.82 KLK1 (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7670097 0.81 HPGD (0.45) PRSS1KMT2AF2PRSS2PRSS3
SCHEMBL6563773 0.81 LDHA (0.42) PRSS1KMT2AF2PRSS2PRSS3
SCHEMBL7675043 0.81 F7 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed