SCHEMBL7960639

SCHEMBL7960639

Cn1nc(-c2ccc(Cn3cccn3)cc2)c(P)c1-c1nc2cc(C(=N)N)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.38
F7 P08709 4/20 0.38
F2 P00734 3/20 0.38
F9 P00740 3/20 0.37
F11 P03951 3/20 0.37
PLAU P00749 3/20 0.36
PRSS1 P07477 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PLG P00747 2/20 0.34
PLAT P00750 1/20 0.34
ADCY10 Q96PN6 1/20 0.34
KLKB1 P03952 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL16258969 0.86 F10 (0.35) F10F7F2F9F11
SCHEMBL10140002 0.84 F10 (0.49) F10F7F2F9F11
SCHEMBL10140128 0.84 F10 (0.34) F10F7F2F9F11
SCHEMBL10140114 0.77 F10 (0.47) F10F7F2F9F11
SCHEMBL16258916 0.77 NOS3 (0.34) NOS3NOS1HDAC1HDAC6ADCY10
SCHEMBL7971691 0.76 CHEK2 (0.40) F10F7F2F9F11
SCHEMBL10139992 0.76 CHEK2 (0.50)
SCHEMBL7977546 0.75 F10 (0.68) F10F7F2F9F11
SCHEMBL10140129 0.75 HDAC1 (0.34) NOS3NOS1HDAC1HDAC6KLKB1
SCHEMBL10139884 0.73 F10 (0.48) F10F7F2F9F11

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