SCHEMBL7973134

SCHEMBL7973134

CCc1ccc(-c2n[nH]c(-c3nc4cc(C(=N)N)ccc4[nH]3)c2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.64
F9 P00740 3/20 0.64
F11 P03951 3/20 0.64
F7 P08709 3/20 0.64
CHEK2 O96017 5/20 0.44
F2 P00734 3/20 0.41
PLAU P00749 4/20 0.41
PLG P00747 3/20 0.41
PLAT P00750 2/20 0.41
PRSS1 P07477 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL7960699 0.89 F10 (0.67) F10F9F11F7CHEK2
SCHEMBL20307774 0.87 F10 (0.67) F10F9F11F7CHEK2
SCHEMBL7969187 0.87 F10 (0.67) F10F9F11F7F2
SCHEMBL10140114 0.81 F10 (0.47) F10F9F11F7CHEK2
SCHEMBL7978435 0.80 F10 (0.83) F10F9F11F7F2
SCHEMBL7973776 0.78 F10 (1.00) F10F9F11F7F2
SCHEMBL7973887 0.78 F10 (0.70) F10F9F11F7F2
SCHEMBL7959410 0.78 F10 (0.79) F10F9F11F7F2
SCHEMBL7977546 0.77 F10 (0.68) F10F9F11F7F2
SCHEMBL20307797 0.77 F9 (0.47) F10F9F11F7CHEK2

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