SCHEMBL8627583

SCHEMBL8627583

N#Cc1cc(CN2CC[C@@H](CNS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)cs1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.49
F2 P00734 6/20 0.49
PLG P00747 4/20 0.49
PROC P04070 5/20 0.46
PRSS1 P07477 5/20 0.46
PLAT P00750 3/20 0.46
S100A9 P06702 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL8625528 0.86 F10 (0.56) F10F2PLGPROCPRSS1
SCHEMBL8626635 0.80 ALDH1A1 (0.39)
SCHEMBL8423855 0.78 F10 (0.49) F10
SCHEMBL8623066 0.74 F10 (0.56) F10F2PLGPROCPRSS1
SCHEMBL8625631 0.74 KCNH2 (0.43) F10F2PLGPROCPRSS1
SCHEMBL2330460 0.73 F10 (0.56) F10F2PLGPROCPRSS1
SCHEMBL2329019 0.71 F10 (0.44) F10F2PLGPROCPRSS1
SCHEMBL8625177 0.71 F10 (0.44) F10F2PLGKCNH2
SCHEMBL8625727 0.70 F10 (0.43) F10F2PLGPROCPRSS1
SCHEMBL7421074 0.69 TRPA1 (0.37) F10F2PLGPROCPLAT

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