SCHEMBL8625528

SCHEMBL8625528

N#Cc1cccc(CN2CC[C@@H](CNS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.56
F2 P00734 4/20 0.56
PLG P00747 3/20 0.56
PRSS1 P07477 5/20 0.46
PROC P04070 4/20 0.46
PLAT P00750 2/20 0.46
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
CASR P41180 1/20 0.36

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
SCHEMBL8623066 0.88 F10 (0.56) F10F2PLGPRSS1PROC
SCHEMBL8625631 0.88 KCNH2 (0.43) F10F2PLGPRSS1PROC
SCHEMBL8627583 0.86 F10 (0.49) F10F2PLGPRSS1PROC
SCHEMBL8625177 0.86 F10 (0.44) F10F2PLGKCNH2CYP3A4
SCHEMBL8625727 0.85 F10 (0.43) F10F2PLGPRSS1PROC
SCHEMBL8622746 0.80 KCNH2 (0.40) KCNH2ALDH1A1
SCHEMBL8626509 0.78 F10 (0.47) F10F2PLGPRSS1PROC
SCHEMBL2329218 0.78 F10 (0.57) F10KCNH2CYP3A4
SCHEMBL8623712 0.77 F10 (0.45) F10F2PLGPRSS1PROC
SCHEMBL2326821 0.76 F10 (0.51) F10F2PLGPRSS1PROC

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