SCHEMBL7979533

SCHEMBL7979533

CCOC(=O)CCS(=O)(=O)N(c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)c(=O)n2C)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.41
F10 P00742 6/20 0.41
PLG P00747 4/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ITK Q08881 13/20 0.39
CHEK2 O96017 3/20 0.39
PRKCG P05129 3/20 0.39
CSNK1D P48730 3/20 0.39
RPS6KA3 P51812 3/20 0.39
DYRK1A Q13627 3/20 0.39
AURKB Q96GD4 3/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
MAP4K4 O95819 2/20 0.39
PHKG2 P15735 2/20 0.39
MARK3 P27448 2/20 0.39
CSNK1A1 P48729 2/20 0.39
CLK2 P49760 2/20 0.39
IRAK1 P51617 2/20 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
SCHEMBL8026495 0.90 ACSL1 (0.42) F2ITKCHEK2PRKCGCSNK1D
Hydrochloric Acid SCHEMBL7977856 0.87 F2 (0.55) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL8028962 0.77 F2 (0.53) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7968431 0.77 F2 (0.59) F2F10PLGPRSS1PRSS2
SCHEMBL7979862 0.77 F2 (0.65) F2F10PLGPRSS1PRSS2
SCHEMBL8029667 0.76 ITK (0.43) F2F10PLGPRSS1PRSS2
SCHEMBL8029894 0.74 ITK (0.43) F2ITKCHEK2PRKCGCSNK1D
SCHEMBL7968268 0.74 F2 (0.45) F2F10PLGPRSS1PRSS2
SCHEMBL8027050 0.74 ITK (0.45) F2ITKCHEK2PRKCGCSNK1D
Hydrochloric Acid SCHEMBL7427712 0.73 F2 (0.58) F2F10PLGPRSS1PRSS2

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed