SCHEMBL3434231

SCHEMBL3434231

CCCCOC(=O)NC(Cc1ccccc1)c1cc(-c2ccc(NC(=O)COC(C)=O)cc2)c(=O)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F11 P03951 10/20 0.47
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
F9 P00740 1/20 0.36
KLKB1 P03952 1/20 0.36
MME P08473 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KLK1 P06870 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL478394 0.87 F11 (0.48) F11NPC1MAPTHPGDRAB9A
SCHEMBL478391 0.87 F11 (0.48) F11NPC1MAPTHPGDRAB9A
SCHEMBL478811 0.76 F11 (0.58) F11MAPTHPGDRAB9AF10
SCHEMBL479154 0.76 F11 (0.51) F11MAPTHPGDSMN1; SMN2MEN1
SCHEMBL478714 0.71 ALDH1A1 (0.46) F11MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL479341 0.71 F11 (0.53) F11NPC1RAB9ASMN1; SMN2F10
SCHEMBL479338 0.71 F11 (0.53) F11NPC1RAB9ASMN1; SMN2F10
SCHEMBL478910 0.70 F11 (0.48) F11NPC1RAB9ASMN1; SMN2F10
SCHEMBL479089 0.70 F11 (0.50) F11NPC1RAB9ASMN1; SMN2F10
SCHEMBL478460 0.69 F11 (0.47) F11NPC1RAB9ASMN1; SMN2F10

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