SCHEMBL7971019

SCHEMBL7971019

C=C(N)c1ccc2nc(-c3c(O)c(-c4ccc(-c5ccc([S+](C)[O-])cc5)cc4)nn3C)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.43
F9 P00740 3/20 0.43
F11 P03951 3/20 0.43
CHEK2 O96017 12/20 0.41
F7 P08709 2/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
PRSS1 P07477 1/20 0.38

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
SCHEMBL16258934 0.91 F10 (0.54) F10F9F11F7F2
SCHEMBL7972318 0.81 CHEK2 (0.56) F10F9F11CHEK2F7
SCHEMBL20307734 0.79 TOP1 (0.32) F10F9F11
SCHEMBL10139933 0.78 CHEK2 (0.67) CHEK2
SCHEMBL7975521 0.78 F10 (0.63) F10F9F11CHEK2F7
SCHEMBL10139891 0.77 CHEK2 (0.69) F10F9F11CHEK2
SCHEMBL7971691 0.77 CHEK2 (0.40) F10F9F11CHEK2F7
SCHEMBL10140008 0.77 F10 (0.57) F10F9F11F7F2
SCHEMBL10139996 0.76 F10 (0.54) F10F9F11F7F2
SCHEMBL10139883 0.76 CHEK2 (0.65) CHEK2

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