SCHEMBL8264045

SCHEMBL8264045

CNC(=N)c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.45
S1PR3 Q99500 6/20 0.44
S1PR4 O95977 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.41
CNR1 P21554 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ULK1 O75385 1/20 0.40
S1PR2 O95136 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39

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
SCHEMBL13439295 0.88 F10 (0.46) F7S1PR3S1PR4SMN1; SMN2NPC1
SCHEMBL8264472 0.87 S1PR3 (0.55) F7S1PR3S1PR4SMN1; SMN2CNR1
SCHEMBL8262948 0.85 F10 (0.43) F7S1PR3S1PR4SMN1; SMN2NPC1
SCHEMBL8264020 0.84 F10 (0.43) F7S1PR3S1PR4MAPTALDH1A1
SCHEMBL8264515 0.84 F10 (0.45) F7MAPT
SCHEMBL13439296 0.83 F7 (0.41) F7S1PR3S1PR4SMN1; SMN2NPC1
SCHEMBL8265161 0.83 F7 (0.41) F7S1PR3S1PR4SMN1; SMN2NPC1
SCHEMBL8264049 0.80 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AHTTCNR1
SCHEMBL3565042 0.77 F10 (0.59)
SCHEMBL8263562 0.76 F7 (0.48) F7S1PR3S1PR4SMN1; SMN2NPC1

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
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed