SCHEMBL8556448

SCHEMBL8556448

N=C(N)c1cccc(CC(=O)OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
F10 P00742 5/20 0.57
PRSS1 P07477 2/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
PLAU P00749 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.51
F2 P00734 6/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL31310151 0.85 ALDH1A1 (0.69) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL7118456 0.80 PRSS1 (0.64) F10PRSS1PRSS2PRSS3PLAU
SCHEMBL8556001 0.80 F10 (0.51) F10PRSS1PRSS2PRSS3LOXL2
SCHEMBL5441092 0.79 ALDH1A1 (0.69) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL56760 0.79 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL27499661 0.78 ALDH1A1 (0.92) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL2548757 0.78 F10 (0.57) ALDH1A1F10PRSS1PRSS2PRSS3
SCHEMBL361779 0.78 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL19990975 0.77 PRSS1 (0.65) F10PRSS1PRSS2PRSS3PLAU
SCHEMBL6311723 0.76 KMT2A (0.59) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed