SCHEMBL7977546

SCHEMBL7977546

N=C(N)c1ccc2nc(-c3[nH]nc(-c4ccc(Cn5cccn5)cc4)c3O)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.68
F9 P00740 4/20 0.68
F11 P03951 3/20 0.68
F7 P08709 3/20 0.68
PLAU P00749 10/20 0.45
PRSS1 P07477 8/20 0.45
F2 P00734 9/20 0.44
PLG P00747 9/20 0.44
PLAT P00750 8/20 0.44
HPN P05981 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL10140002 0.84 F10 (0.49) F10F9F11F7PLAU
SCHEMBL7978435 0.83 F10 (0.83) F10F9F11F7PLAU
SCHEMBL7973776 0.81 F10 (1.00) F10F9F11F7PLAU
SCHEMBL7959410 0.81 F10 (0.79) F10F9F11F7PLAU
SCHEMBL7973134 0.77 F10 (0.64) F10F9F11F7PLAU
SCHEMBL7971691 0.76 CHEK2 (0.40) F10F9F11F7PLAU
SCHEMBL10139992 0.76 CHEK2 (0.50)
SCHEMBL7960639 0.75 F10 (0.38) F10F9F11F7PLAU
SCHEMBL20307778 0.74 HDAC6 (0.57) F10F9F11F7
SCHEMBL20307774 0.74 F10 (0.67) F10F9F11F7PLAU

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