SCHEMBL7972893

SCHEMBL7972893

CCN(CC)C(=O)Oc1c(-c2ccc(-c3ccc(SC)cc3)cc2)nn(C)c1-c1nc2cc(C(=N)N)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.37
F9 P00740 2/20 0.37
F11 P03951 2/20 0.37
PLG P00747 5/20 0.35
PLAU P00749 5/20 0.35
F2 P00734 2/20 0.35
PLAT P00750 1/20 0.35
PRSS1 P07477 1/20 0.35
F7 P08709 3/20 0.34
CHEK2 O96017 3/20 0.34
KLKB1 P03952 1/20 0.33

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
SCHEMBL10140125 0.89 MEN1 (0.39) F10F9F11PLGPLAU
SCHEMBL10140128 0.84 F10 (0.34) F10F9F11PLGPLAU
SCHEMBL10140130 0.83 HDAC3 (0.43) CHEK2
SCHEMBL12758129 0.81 MEN1 (0.36) F10F9F11PLGPLAU
SCHEMBL7960714 0.78 CHEK2 (0.39) CHEK2
SCHEMBL16258967 0.77 MEN1 (0.39) F10F9F11PLGPLAU
SCHEMBL10140129 0.76 HDAC1 (0.34) CHEK2KLKB1
SCHEMBL10140006 0.74 CHEK2 (0.38) CHEK2
SCHEMBL10140040 0.73 CHEK2 (0.34) CHEK2
SCHEMBL10140004 0.71 SCD (0.36)

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed