SCHEMBL9030206

SCHEMBL9030206

CCCC(O[C]=O)c1ccc(C(=N)N)nc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.32
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL8174692 0.80 F2 (0.42) F10PRSS1PRSS2F7F3
SCHEMBL9029684 0.74 PRSS1 (0.37) PRMT1F10PRSS1PRSS2F7
SCHEMBL8162689 0.74 HSD17B10 (0.38) F10PRSS1PRSS2F7F3
SCHEMBL8169531 0.71 F2 (0.40) PRMT1F10PRSS1PRSS2PRSS3
SCHEMBL4672469 0.70 CA12 (0.36)
SCHEMBL13084175 0.69 PRMT1 (0.41) PRMT1
SCHEMBL8559436 0.68 CA12 (0.32)
SCHEMBL1432767 0.68 AOC3 (0.39)
SCHEMBL23511495 0.64 PRMT1 (0.38) PRMT1
SCHEMBL19486155 0.64 PRSS1 (0.44) PRMT1F10PRSS1PRSS2PRSS3

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-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed