SCHEMBL4778787

SCHEMBL4778787

CN(C)c1cccc2c(S(=O)(=O)CCCC(N)=O)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
F2 P00734 3/20 0.56
PRSS1 P07477 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
HIF1A Q16665 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC6 Q9UBN7 2/20 0.50
APEX1 P27695 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
EDNRA P25101 5/20 0.47
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HDAC3 O15379 1/20 0.44

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
SCHEMBL1890166 0.84 APEX1 (0.58) CA2F2PRSS1PRSS2PRSS3
SCHEMBL4509393 0.84 APEX1 (0.58) CA2F2PRSS1PRSS2PRSS3
SCHEMBL2219412 0.82 CA2 (0.61) CA2F2PRSS1PRSS2PRSS3
SCHEMBL6416698 0.82 CA2 (0.57) CA2F2PRSS1PRSS2PRSS3
SCHEMBL16097557 0.82 CYP1A2 (0.58) CA2F2PRSS1PRSS2PRSS3
SCHEMBL1282670 0.82 F2 (0.55) CA2F2PRSS1PRSS2PRSS3
SCHEMBL1861706 0.81 CA2 (0.59) CA2F2PRSS1PRSS2PRSS3
SCHEMBL1896953 0.81 CA2 (0.64) CA2F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL1164011 0.81 CA2 (0.50) CA2F2PRSS1PRSS2PRSS3
SCHEMBL3806560 0.80 CYP1A2 (0.63) CA2F2PRSS1PRSS2PRSS3

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-1993967-A1 REMOTE CURING OF POLYMER COATING BY GASEOUS, VAPOROUS OR AEROSOL INITIATING AGENT Bowling Green State University (US) 2008-11-26 EP disclosed
WO-2007126500-A1 REMOTE CURING OF POLYMER COATING BY GASEOUS, VAPOROUS OR AEROSOL INITIATING AGENT BOWLING GREEN STATE UNIVERSITY (US) 2007-11-08 WO disclosed