SCHEMBL8622748

SCHEMBL8622748

CN([C@H]1CCN(Cc2cccc(C#N)c2)C1=O)S(=O)(=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.43
F2 P00734 4/20 0.43
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
PROC P04070 1/20 0.39
FNTA P49354 6/20 0.38
FNTB P49356 6/20 0.38
PGGT1B P53609 3/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KEAP1 Q14145 1/20 0.37

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
SCHEMBL8626638 0.85 F10 (0.46) F10F2PSEN1PSEN2APH1B
SCHEMBL2325764 0.85 F10 (0.41) F10F2PSEN1PSEN2APH1B
SCHEMBL8425358 0.81 F10 (0.59) F10F2PLGPLATPROC
SCHEMBL8629049 0.79 ROCK2 (0.39) F10FNTAFNTBPGGT1BROCK2
SCHEMBL2325707 0.78 F10 (0.69) F10F2PLGPLATPROC
SCHEMBL8622746 0.78 KCNH2 (0.40) ROCK2ROCK1KCNH2
SCHEMBL8626510 0.78 F10 (0.43) F10F2PLGPLATPROC
SCHEMBL2328117 0.77 F10 (0.46) F10F2PSEN1PSEN2APH1B
SCHEMBL8425665 0.77 F10 (0.46) F10F2PSEN1PSEN2APH1B
SCHEMBL8423783 0.77 F10 (0.72) 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