SCHEMBL8038844

SCHEMBL8038844

N#Cc1cc2c(s1)SCC(=O)N2C(C(N)=O)c1ccc2c(c1)OCO2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.34
EDNRA P25101 3/20 0.34
OGA O60502 2/20 0.33
MELK Q14680 1/20 0.33
GAA P10253 2/20 0.32
HTT P42858 2/20 0.32
USP2 O75604 1/20 0.32
EDNRB P24530 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6994787 0.71 ALOX15 (0.58) GAA
SCHEMBL6992104 0.71 ALDH1A1 (0.45) GAAHTT
SCHEMBL7440321 0.66 GAA (0.49) ACHEEDNRAOGAGAAHTT
SCHEMBL6992010 0.60 ALDH1A1 (0.42) GAA
SCHEMBL7289763 0.60 EDNRA (0.51) EDNRA
SCHEMBL5717640 0.60 PTGS2 (0.59) EDNRAOGA
SCHEMBL6991108 0.60 EDNRA (0.51) EDNRA
SCHEMBL21632377 0.58 MAPK9 (0.55) ACHEEDNRA
SCHEMBL1168388 0.57 ACHE (0.60) ACHEOGAHTT
SCHEMBL2047538 0.57 ACHE (0.56) ACHEEDNRA

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-6093710-A AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-25 US disclosed