SCHEMBL6769265

SCHEMBL6769265

NC(=O)OCCOc1ccc2ccnc(N)c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.43
PLAT P00750 1/20 0.43
MTNR1A P48039 7/20 0.41
MTNR1B P49286 7/20 0.41
F10 P00742 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
NCF1 P14598 6/20 0.38
F12 P00748 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
BACE1 P56817 1/20 0.38
ROCK1 Q13464 1/20 0.37

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
SCHEMBL7120850 0.80 ROCK1 (0.45) PLAUPLATF10ALDH1A1CASP1
SCHEMBL6776349 0.79 ROCK1 (0.46) PLAUPLATMTNR1AMTNR1BF10
SCHEMBL6769241 0.78 ROCK1 (0.45) PLAUPLATMTNR1AMTNR1BROCK1
SCHEMBL14752092 0.76 HRH3 (0.40) F10ALDH1A1HSD17B10
SCHEMBL6982099 0.76 F12 (0.44) PLAUPLATF10NCF1F12
SCHEMBL14404768 0.75 TYMS (0.50) PLAUALDH1A1HSD17B10NCF1F12
SCHEMBL29045152 0.75 KDM4E (0.61) ALDH1A1
SCHEMBL6775981 0.74 KDM4E (0.40) PLAUPLATMTNR1AMTNR1BF10
SCHEMBL1834564 0.71 PLAU (0.59) PLAUF10NCF1F12NOS3
SCHEMBL28993960 0.71 NPC1 (0.50) ALDH1A1HSD17B10

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-6825181-B1 ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed