SCHEMBL14132012

SCHEMBL14132012

N=C(N)c1cccc(OCCNC(=O)c2ccc(Cc3ccncc3)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.76
PRSS1 P07477 7/20 0.59
PLG P00747 1/20 0.59
PROC P04070 1/20 0.59
KLK1 P06870 1/20 0.59
POLB P06746 1/20 0.50
LOX P28300 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
F2 P00734 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL3898968 0.94 F10 (0.67) F10PRSS1PLGPROCKLK1
SCHEMBL14132267 0.94 F10 (0.76) F10PRSS1PLGPROCKLK1
SCHEMBL14131765 0.90 F10 (0.84) F10PRSS1PLGPROCKLK1
Trifluoroacetic Acid SCHEMBL3909918 0.88 F10 (0.67) F10PRSS1PLGPROCKLK1
SCHEMBL3907008 0.88 F10 (0.76) F10PRSS1PLGPROCKLK1
SCHEMBL14132196 0.87 F10 (0.86) F10PRSS1PLGPROCKLK1
SCHEMBL14132304 0.87 F10 (1.00) F10PRSS1PLGPROCKLK1
SCHEMBL14131977 0.87 F10 (0.74) F10PRSS1PLGPROCKLK1
Trifluoroacetic Acid SCHEMBL3900630 0.86 F10 (0.76) F10PRSS1PLGPROCKLK1
SCHEMBL14131810 0.85 F10 (0.79) F10PRSS1PLGPROCKLK1

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-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed