SCHEMBL8556001

SCHEMBL8556001

CCCCOC(=O)Cc1cccc(C(=N)N)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.51
PRSS1 P07477 11/20 0.48
PRSS2 P07478 3/20 0.48
PRSS3 P35030 3/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
F2 P00734 3/20 0.47
PLG P00747 1/20 0.45
C1S P09871 1/20 0.45

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
SCHEMBL8193455 0.81 LMNA (0.45) F10LOXL2
SCHEMBL8852497 0.81 TSHR (0.48)
SCHEMBL8556448 0.80 ALDH1A1 (0.61) F10PRSS1PRSS2PRSS3LOXL2
SCHEMBL13948677 0.79 KMT2A (0.48)
SCHEMBL18945510 0.78 EPHX2 (0.46)
SCHEMBL2309460 0.78 EPHX2 (0.46)
SCHEMBL27484985 0.77 ALDH1A1 (0.56)
SCHEMBL21540041 0.77 L3MBTL1 (0.53)
SCHEMBL456516 0.77 ALDH1A1 (0.59)
SCHEMBL13813622 0.76 PRSS1 (0.81) PRSS1PRSS2PRSS3F2PLG

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