SCHEMBL14132004

SCHEMBL14132004

N=C(N)c1ccc(C(=S)NCCOc2cccc(C(=N)N)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.73
PRSS1 P07477 10/20 0.62
F2 P00734 5/20 0.58
PLG P00747 2/20 0.58
PRSS2 P07478 1/20 0.58
C1S P09871 1/20 0.58
PRSS3 P35030 1/20 0.58
PROC P04070 1/20 0.53
KLK1 P06870 1/20 0.53

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 SCHEMBL3901415 0.91 F10 (0.68) F10PRSS1F2PLGPRSS2
SCHEMBL14132304 0.84 F10 (1.00) F10PRSS1F2PLGPRSS2
SCHEMBL14132044 0.81 F10 (0.93) F10PRSS1F2PLGPRSS2
SCHEMBL16450813 0.80 PRSS1 (0.73) F10PRSS1F2PLGPRSS2
SCHEMBL14367459 0.80 PRSS1 (0.68) F10PRSS1F2PLGPRSS2
SCHEMBL14132036 0.80 F10 (0.88) F10PRSS1F2PLGPRSS2
SCHEMBL14132141 0.80 F10 (0.90) F10PRSS1F2PLGPRSS2
SCHEMBL14132005 0.79 F10 (0.65) F10PRSS1F2PLGPRSS2
Hydrochloric Acid SCHEMBL5623120 0.79 PRSS1 (0.69) F10PRSS1F2PLGPRSS2
SCHEMBL14132167 0.79 F10 (0.88) F10PRSS1F2PLGPRSS2

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

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