SCHEMBL9030729

SCHEMBL9030729

N=C(N)c1ccc(OC(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
GFER P55789 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
F2 P00734 7/20 0.51
PRSS1 P07477 4/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
TMPRSS6 Q8IU80 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
PARP10 Q53GL7 1/20 0.51
PLAU P00749 3/20 0.50
PLG P00747 2/20 0.50
PLAT P00750 2/20 0.50
TMPRSS15 P98073 2/20 0.50
MRGPRX1 Q96LB2 1/20 0.50
KLK8 O60259 1/20 0.50
F10 P00742 1/20 0.50
KLK4 Q9Y5K2 1/20 0.50

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
SCHEMBL9029750 0.88 F2 (0.53) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL9328838 0.84 KMT2A (0.65) MEN1HTTGFERKMT2AHSD17B10
Hydrochloric Acid SCHEMBL9488543 0.83 KMT2A (0.63) MEN1HTTGFERKMT2AHSD17B10
SCHEMBL697595 0.82 KMT2A (0.60) MEN1HTTGFERKMT2AHSD17B10
SCHEMBL9328632 0.82 KMT2A (0.55) MEN1HTTGFERKMT2AHSD17B10
SCHEMBL15242478 0.82 MAOB (0.67) MEN1HTTGFERKMT2AHSD17B10
SCHEMBL5654161 0.81 RAB9A (0.56) MEN1HTTGFERKMT2AHSD17B10
SCHEMBL8173802 0.81 KMT2A (0.71) MEN1KMT2AF2PLAUPLG
SCHEMBL1927968 0.81 LMNA (0.59) MEN1HTTGFERKMT2AHSD17B10
SCHEMBL9511809 0.81 KMT2A (0.60) MEN1HTTGFERKMT2AHSD17B10

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