SCHEMBL7531044

SCHEMBL7531044

N=C(N)c1ccc(CCS(=O)(=O)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.50
PRSS2 P07478 4/20 0.50
PRSS3 P35030 4/20 0.50
ST14 Q9Y5Y6 3/20 0.50
F10 P00742 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
F2 P00734 5/20 0.46
PLG P00747 1/20 0.46
C1S P09871 1/20 0.46
MGLL Q99685 2/20 0.45
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
TMPRSS6 Q8IU80 1/20 0.43
PLAU P00749 2/20 0.41
LMNA P02545 1/20 0.41
MASP2 O00187 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL7527652 0.82 MGLL (0.45) ST14F10F2MGLLITGB3
SCHEMBL537872 0.81 PRSS1 (0.53) PRSS1PRSS2PRSS3ST14F10
Fluoride SCHEMBL8499766 0.80 PRSS1 (0.52) PRSS1PRSS2PRSS3ST14F10
Hydrochloric Acid SCHEMBL1071756 0.80 PRSS1 (0.52) PRSS1PRSS2PRSS3ST14F10
SCHEMBL9030764 0.76 MRGPRX1 (0.45) PRSS1PRSS2PRSS3ST14F10
SCHEMBL9031768 0.74 KMT2A (0.57) ST14ITGB3ITGA2BPLAULMNA
SCHEMBL29001419 0.74 MEN1 (0.49) MGLLLMNA
SCHEMBL20610488 0.72 PRSS1 (0.68) PRSS1PRSS2PRSS3ST14F10
SCHEMBL7815090 0.72 F10 (0.68) PRSS1PRSS2PRSS3ST14F10
SCHEMBL29001390 0.72 MGLL (0.48) LOXL2F2MGLL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623146-B1 COMPOSITIONS AND METHODS FOR INHIBITING BETA-PROTEIN FUNCTION HARVARD COLLEGE (US) 2002-04-17 EP disclosed
US-5506097-A CONTACTING ALZHEIMER AMYLOID BETA-PROTEIN WITH EBELACTONE A OR PARA-AMIDINOPHENYLMETHANESULFONYL FLUORIDE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1996-04-09 US disclosed
EP-0623146-A1 COMPOUNDS AND METHODS FOR INHIBITING $g(b)-PROTEIN FUNCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1994-11-09 EP disclosed
WO-1993015112-A2 COMPOUNDS AND METHODS FOR INHIBITING β-PROTEIN FUNCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1993-08-05 WO disclosed