SCHEMBL3907008

SCHEMBL3907008

N=C(N)c1cccc(OCCNC(=O)c2ccc(Nc3ccncc3)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.76
PRSS1 P07477 10/20 0.59
PLG P00747 2/20 0.59
PROC P04070 1/20 0.59
KLK1 P06870 1/20 0.59
POLB P06746 1/20 0.50
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 0.47
PRSS2 P07478 1/20 0.47
C1S P09871 1/20 0.47
PRSS3 P35030 1/20 0.47

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 SCHEMBL3905955 0.94 F10 (0.67) F10PRSS1PLGPROCKLK1
SCHEMBL14132012 0.88 F10 (0.76) F10PRSS1PLGPROCKLK1
SCHEMBL14132267 0.88 F10 (0.76) F10PRSS1PLGPROCKLK1
SCHEMBL14132304 0.87 F10 (1.00) F10PRSS1PLGPROCKLK1
SCHEMBL14131977 0.87 F10 (0.74) F10PRSS1PLGPROCKLK1
SCHEMBL14132187 0.85 F10 (0.82) F10PRSS1PLGPROCKLK1
SCHEMBL14132141 0.84 F10 (0.90) F10PRSS1PLGPROCKLK1
SCHEMBL14132167 0.83 F10 (0.88) F10PRSS1PLGPROCKLK1
SCHEMBL3904589 0.83 F10 (0.51) F10POLBNPC1HPGDRAB9A
SCHEMBL14132044 0.83 F10 (0.93) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
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
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed