SCHEMBL8626510

SCHEMBL8626510

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.43
F2 P00734 4/20 0.38
SDHB P21912 1/20 0.38
PKM P14618 1/20 0.36
FNTA P49354 5/20 0.34
FNTB P49356 5/20 0.34
PGGT1B P53609 2/20 0.34
DPP4 P27487 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
KCNH2 Q12809 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
PROC P04070 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
SCHEMBL8623715 0.88 F10 (0.41) F10F2PKMFNTAFNTB
SCHEMBL8626509 0.83 F10 (0.47) F10F2SDHBDPP4KCNH2
SCHEMBL2325764 0.79 F10 (0.41) F10F2FNTAFNTBPGGT1B
SCHEMBL8622748 0.78 F10 (0.43) F10F2FNTAFNTBPGGT1B
SCHEMBL8425358 0.74 F10 (0.59) F10F2PLGPLATPROC
SCHEMBL7418409 0.72 F10 (0.58) F10F2PLGPLATPROC
Trifluoroacetic Acid SCHEMBL7484939 0.72 F10 (0.56) F10F2PLGPLATPROC
SCHEMBL8623712 0.71 F10 (0.45) F10F2DPP4KCNH2PLG
SCHEMBL7482521 0.71 F10 (0.58) F10F2PLGPLATPROC
SCHEMBL2325707 0.71 F10 (0.69) 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