SCHEMBL8625102

SCHEMBL8625102

N#Cc1ccc(N)c(CN2CCC(OS(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.57
F2 P00734 10/20 0.57
PROC P04070 3/20 0.35
PLG P00747 2/20 0.35
PRSS1 P07477 2/20 0.35
CYP11B2 P19099 3/20 0.34
BRAF P15056 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP19A1 P11511 1/20 0.33
GHSR Q92847 1/20 0.33
PLAT P00750 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
KCNH2 Q12809 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
SCHEMBL8624162 0.87 F10 (0.54) F10F2CYP11B2CYP11B1CYP19A1
SCHEMBL8625901 0.79 F10 (0.52) F10F2CYP11B2CYP11B1CYP19A1
SCHEMBL7425048 0.77 F10 (0.75) F10F2PROCPLGPRSS1
SCHEMBL8425417 0.70 ALDH1A1 (0.35) F10F2PROCPLGPRSS1
SCHEMBL7424077 0.68 KDM4E (0.35) F10F2PROCPLGPRSS1
SCHEMBL7423151 0.68 KDM4E (0.35) F10F2PROCPLGPRSS1
Trifluoroacetic Acid SCHEMBL7474479 0.68 F10 (0.89) F10F2PROCPLGPRSS1
Trifluoroacetic Acid SCHEMBL7474477 0.68 F10 (0.89) F10F2PROCPLGPRSS1
Hydrochloric Acid SCHEMBL8040100 0.68 KDM4E (0.35) F10F2PROCPLGPRSS1
Hydrochloric Acid SCHEMBL7423721 0.68 KDM4E (0.35) F10F2PROCPLGPRSS1

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