SCHEMBL8625901

SCHEMBL8625901

N#Cc1cccc(CN2CCC(OS(=O)(=O)c3ccc(-c4ccncc4)s3)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.52
F2 P00734 4/20 0.52
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 1/20 0.46
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
DRD4 P21917 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL8624162 0.93 F10 (0.54) F10F2ROCK2ROCK1KCNH2
SCHEMBL8629049 0.83 ROCK2 (0.39) F10ROCK2ROCK1KCNH2ALDH1A1
SCHEMBL8628686 0.81 KCNH2 (0.40) F10F2ROCK2ROCK1KCNH2
SCHEMBL8625102 0.79 F10 (0.57) F10F2KCNH2FNTAFNTB
SCHEMBL8625062 0.73 F10 (0.59) F10F2KCNH2CYP3A4FNTA
SCHEMBL2328567 0.72 F10 (0.70) F10F2ROCK2ROCK1
SCHEMBL2335132 0.72 F10 (0.53) F10F2ROCK2ROCK1KCNH2
SCHEMBL2330834 0.72 F10 (0.73) F10F2
SCHEMBL2328605 0.70 F10 (0.47) F10F2ROCK2ROCK1KCNH2
SCHEMBL7417103 0.69 FNTA (0.57) F10ROCK2ROCK1KCNH2CYP3A4

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