SCHEMBL2362277

SCHEMBL2362277

COc1cc2[nH]c(-c3c(F)cccc3Cl)nc2cc1C(=N)N

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 17/20 0.51
PLG P00747 16/20 0.51
F10 P00742 15/20 0.48
F2 P00734 13/20 0.48
PLAT P00750 11/20 0.48
PRSS1 P07477 3/20 0.44
AMY1A P0DUB6 2/20 0.43
KLKB1 P03952 1/20 0.42
PRSS2 P07478 1/20 0.42
F7 P08709 1/20 0.42
PRSS3 P35030 1/20 0.42
DGAT1 O75907 1/20 0.40

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
SCHEMBL2361888 0.79 AMY1A (0.47) AMY1ADGAT1
SCHEMBL2361085 0.79 AMY1A (0.44) AMY1ADGAT1
SCHEMBL2361762 0.78 F10 (0.54) PLAUPLGF10F2PLAT
SCHEMBL2361306 0.74 AMY1A (0.44) AMY1ADGAT1
SCHEMBL2361250 0.73 AMY1A (0.43) AMY1ADGAT1
SCHEMBL2361706 0.73 PTGES (0.48)
SCHEMBL13405914 0.73 RHEB (0.54) AMY1ADGAT1
SCHEMBL2361475 0.72 DGAT1 (0.43) AMY1ADGAT1
SCHEMBL2361234 0.71 PTGES (0.45) AMY1ADGAT1
SCHEMBL2362184 0.71 AMY1A (0.42) AMY1ADGAT1

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
WO-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 WO disclosed