SCHEMBL8623712

SCHEMBL8623712

C[S+]([O-])c1nccc(-c2ccc(S(=O)(=O)NC[C@@H]3CCN(Cc4cccc(C#N)c4)C3=O)s2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.45
F2 P00734 3/20 0.39
PRSS1 P07477 2/20 0.34
KCNH2 Q12809 1/20 0.34
PLAT P00750 1/20 0.34
PROC P04070 1/20 0.34
PLG P00747 1/20 0.33
TNIK Q9UKE5 1/20 0.33
PARG Q86W56 1/20 0.33
DPP4 P27487 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL7418409 0.89 F10 (0.58) F10F2PRSS1PLATPROC
SCHEMBL8626509 0.88 F10 (0.47) F10F2PRSS1KCNH2PLAT
SCHEMBL8623715 0.84 F10 (0.41) F10F2KCNH2PLATPROC
SCHEMBL8625528 0.77 F10 (0.56) F10F2PRSS1KCNH2PLAT
SCHEMBL8623066 0.76 F10 (0.56) F10F2PRSS1KCNH2PLAT
SCHEMBL8622746 0.75 KCNH2 (0.40) KCNH2PARG
SCHEMBL8625631 0.74 KCNH2 (0.43) F10F2PRSS1KCNH2PLAT
SCHEMBL8625177 0.73 F10 (0.44) F10F2KCNH2PLG
SCHEMBL2326821 0.73 F10 (0.51) F10F2PRSS1PROCPLG
SCHEMBL2330834 0.72 F10 (0.73) F10F2PRSS1PLATPROC

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-5731315-A Substituted sulfonic acid n- (aminoiminomethyl)phenylalkyl!-azaheterocyclamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-03-24 US disclosed