SCHEMBL7971691

SCHEMBL7971691

C=C(N)c1ccc2nc(-c3c(O)c(-c4ccc(Cn5cccn5)cc4)nn3C)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.40
F10 P00742 4/20 0.40
F9 P00740 3/20 0.40
F11 P03951 3/20 0.40
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC2 Q92769 1/20 0.38
BRPF1 P55201 1/20 0.37
F7 P08709 2/20 0.37
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL10139992 0.92 CHEK2 (0.50) CHEK2
SCHEMBL10140002 0.92 F10 (0.49) F10F9F11F7F2
SCHEMBL7973410 0.81 PTGDR2 (0.36) NOS3NOS1HDAC3HDAC1HDAC8
SCHEMBL7972318 0.80 CHEK2 (0.56) CHEK2F10F9F11F7
SCHEMBL10139912 0.80 CHEK2 (0.48) CHEK2
SCHEMBL7971019 0.77 F10 (0.43) CHEK2F10F9F11F7
SCHEMBL7960639 0.76 F10 (0.38) F10F9F11NOS3NOS1
SCHEMBL10139864 0.76 CHEK2 (0.55) CHEK2
SCHEMBL7966356 0.76 CHEK2 (0.55) CHEK2
SCHEMBL10139924 0.76 PTGDR2 (0.37) F10F9F11HDAC3HDAC1

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