SCHEMBL3407552

SCHEMBL3407552

Nc1ccc(-c2cc(C(CNC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)c3ccccc3)c(Cl)nn2)cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.56
KLKB1 P03952 10/20 0.56
F10 P00742 5/20 0.56
PLAT P00750 5/20 0.56
PLG P00747 4/20 0.56
PROC P04070 2/20 0.56
F2 P00734 1/20 0.56
F9 P00740 1/20 0.56
PLAU P00749 1/20 0.56
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
F7 P08709 1/20 0.56
PRSS3 P35030 1/20 0.56
KLK1 P06870 1/20 0.44

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
SCHEMBL478576 0.85 F11 (0.75) F11KLKB1F10PLATPLG
SCHEMBL478578 0.85 F11 (0.75) F11KLKB1F10PLATPLG
SCHEMBL3416542 0.81 F11 (0.59) F11KLKB1F10PLATPLG
SCHEMBL3636834 0.80 F11 (0.56) F11KLKB1F10PLAT
SCHEMBL3435160 0.80 F11 (0.59) F11KLKB1F10PLATPLG
SCHEMBL478442 0.74 F11 (0.87) F11KLKB1F10PLATPLG
SCHEMBL478804 0.73 F11 (0.71) F11KLKB1F10PLATPLG
SCHEMBL3433267 0.73 F11 (0.81) F11KLKB1F10PLATPLG
SCHEMBL3416282 0.72 F11 (0.58) F11KLKB1F10PLATPLG
SCHEMBL478982 0.72 F11 (0.69) F11KLKB1F10PLATPLG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO disclosed