SCHEMBL8625631

SCHEMBL8625631

N#Cc1cccc(CN2CC[C@@H](CNS(=O)(=O)c3cc4cc(Cl)ccc4s3)C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
F10 P00742 14/20 0.43
F2 P00734 3/20 0.42
PLG P00747 1/20 0.42
CYP3A4 P08684 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
CCR2 P41597 1/20 0.37
PRSS1 P07477 2/20 0.37
PLAT P00750 1/20 0.37
PROC P04070 1/20 0.37
BDKRB1 P46663 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
CLPP Q16740 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
SCHEMBL8625177 0.94 F10 (0.44) KCNH2F10F2PLGCYP3A4
SCHEMBL8625528 0.88 F10 (0.56) KCNH2F10F2PLGCYP3A4
SCHEMBL8625727 0.87 F10 (0.43) KCNH2F10F2PLGCYP3A4
SCHEMBL8623066 0.85 F10 (0.56) KCNH2F10F2PLGCYP3A4
SCHEMBL2329218 0.84 F10 (0.57) KCNH2F10CYP3A4HTR1ADRD2
SCHEMBL8622746 0.82 KCNH2 (0.40) KCNH2HTR1ADRD2
SCHEMBL2326821 0.78 F10 (0.51) F10F2PLGPRSS1PROC
SCHEMBL8626509 0.76 F10 (0.47) KCNH2F10F2PLGPRSS1
SCHEMBL2330488 0.74 F10 (0.54) F10F2PLGPRSS1PROC
SCHEMBL8623712 0.74 F10 (0.45) KCNH2F10F2PLGPRSS1

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