SCHEMBL8423918

SCHEMBL8423918

N#Cc1cccc(CN2CC[C@@H](C(NS(=O)(=O)c3ccc4ccccc4c3)C(=O)NCCc3ccccc3)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.45
F10 P00742 12/20 0.45
PLG P00747 2/20 0.45
PROC P04070 2/20 0.45
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
KAT6A Q92794 1/20 0.40
F2 P00734 4/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PRSS1 P07477 1/20 0.39
BDKRB2 P30411 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
SCHEMBL8423730 0.93 F10 (0.49) F10PLGPROCF2PRSS1
SCHEMBL8425505 0.91 F10 (0.45) F10TP53POLBF2CNR1
SCHEMBL8424224 0.90 GAA (0.41) BDKRB1F10PLGPROCTP53
SCHEMBL8428300 0.89 F10 (0.48) F10PLGPROCF2PRSS1
SCHEMBL8425504 0.89 F10 (0.47) F10PLGPROCF2PRSS1
SCHEMBL8423392 0.87 F10 (0.47) F10PLGPROCF2PRSS1
SCHEMBL8428321 0.86 F10 (0.50) F10PLGPROCF2PRSS1
SCHEMBL8425339 0.85 F10 (0.46) F10PLGPROCF2PRSS1
SCHEMBL8425519 0.84 F10 (0.51) F10PLGPROCF2PRSS1
SCHEMBL8427943 0.83 F10 (0.49) F10PLGPROCF2PRSS1

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-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US disclosed