SCHEMBL3414366

SCHEMBL3414366

COC(=O)Nc1ccc(-c2cc(CC(N)c3ccccc3)cnn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 9/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA1 P14867 1/20 0.39
HPGD P15428 1/20 0.39
ROCK1 Q13464 2/20 0.39
MYLK4 Q86YV6 2/20 0.39
ROCK2 O75116 2/20 0.38
KLKB1 P03952 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
F2 P00734 1/20 0.38
F9 P00740 1/20 0.38
F10 P00742 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
SCHEMBL479060 0.90 F11 (0.51) F11SMN1; SMN2NPC1RAB9AGABRG2
SCHEMBL3413549 0.80 F11 (0.42) F11SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL479102 0.78 F11 (0.51) F11SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL479101 0.78 F11 (0.51) F11SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL478787 0.76 F11 (0.52) F11SMN1; SMN2NPC1RAB9AKLKB1
SCHEMBL3414032 0.76 PDE4A (0.42) F11SMN1; SMN2HPGDROCK1MYLK4
SCHEMBL3413708 0.75 F11 (0.40) F11SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4707261 0.74 F11 (0.49) F11SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL478940 0.74 F11 (0.41) F11SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL478939 0.74 F11 (0.41) F11SMN1; SMN2NPC1RAB9AHPGD

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