SCHEMBL13636886

SCHEMBL13636886

N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3ccc(=O)[nH]c3)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.74
PLG P00747 1/20 0.70
PROC P04070 1/20 0.70
PRSS1 P07477 6/20 0.65
F2 P00734 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL14509265 0.82 F10 (1.00) F10PLGPROCPRSS1F2
Trifluoroacetic Acid SCHEMBL6641128 0.81 F10 (0.67) F10PLGPROCPRSS1F2
SCHEMBL13636885 0.77 F10 (0.76) F10PLGPROCPRSS1F2
Trifluoroacetic Acid SCHEMBL7897485 0.76 F10 (0.70) F10PLGPROCPRSS1F2
Trifluoroacetic Acid SCHEMBL6644219 0.75 F10 (0.88) F10PLGPROCPRSS1ITGB3
Trifluoroacetic Acid SCHEMBL6664969 0.75 F10 (0.88) F10PLGPROCPRSS1F2
Trifluoroacetic Acid SCHEMBL6638539 0.74 F10 (0.68) F10PLGPROCPRSS1F2
SCHEMBL7898536 0.74 F10 (0.57) F10PLGPRSS1F2
SCHEMBL6639955 0.74 F10 (0.57) F10PLGPRSS1F2
Trifluoroacetic Acid SCHEMBL6638375 0.73 F10 (0.88) F10PLGPROCPRSS1F2

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
EP-0931060-B1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL PROPYL AMIDES AVENTIS PHARMA INC (US) 2009-11-25 EP disclosed