SCHEMBL478939

SCHEMBL478939

COC(=O)Nc1ccc(-c2cc(CC(N)c3ccccc3)nnc2OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
PDGFRB P09619 2/20 0.38
KDR P35968 2/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL478940 1.00 F11 (0.41) F11SMN1; SMN2HPGDPDGFRBKDR
SCHEMBL3413708 0.89 F11 (0.40) F11SMN1; SMN2HPGDPDGFRBKDR
SCHEMBL3413631 0.87 PDGFRB (0.41) F11SMN1; SMN2HPGDPDGFRBKDR
SCHEMBL478937 0.82 F11 (0.51) F11SMN1; SMN2RAB9ANPC1KLKB1
SCHEMBL478938 0.82 F11 (0.51) F11SMN1; SMN2RAB9ANPC1KLKB1
SCHEMBL4707261 0.78 F11 (0.49) F11SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL3413549 0.76 F11 (0.42) F11SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL3414366 0.74 F11 (0.44) F11SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL3412508 0.74 ROCK1 (0.40) F11HPGDRAB9ANPC1GAA
SCHEMBL27835564 0.73 F11 (0.44) F11SMN1; SMN2RAB9ANPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
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