SCHEMBL8623715

SCHEMBL8623715

CN([C@H]1CCN(Cc2cccc(C#N)c2)C1=O)S(=O)(=O)c1ccc(-c2ccnc([S+](C)[O-])n2)s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.41
F2 P00734 4/20 0.38
FNTA P49354 7/20 0.34
FNTB P49356 7/20 0.34
PGGT1B P53609 2/20 0.34
KCNH2 Q12809 2/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
PROC P04070 1/20 0.34
PKM P14618 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
KLK6 Q92876 1/20 0.33

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
SCHEMBL8626510 0.88 F10 (0.43) F10F2FNTAFNTBPGGT1B
SCHEMBL7418409 0.85 F10 (0.58) F10F2PLGPLATPROC
SCHEMBL8623712 0.84 F10 (0.45) F10F2KCNH2PLGPLAT
SCHEMBL2325764 0.77 F10 (0.41) F10F2FNTAFNTBPGGT1B
SCHEMBL7430862 0.76 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8622748 0.76 F10 (0.43) F10F2FNTAFNTBPGGT1B
SCHEMBL8425358 0.74 F10 (0.59) F10F2PLGPLATPROC
SCHEMBL8626509 0.71 F10 (0.47) F10F2KCNH2PLGPLAT
SCHEMBL2325707 0.71 F10 (0.69) F10F2PLGPLATPROC
Trifluoroacetic Acid SCHEMBL7484939 0.71 F10 (0.56) F10F2PLGPLATPROC

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