SCHEMBL5724982

SCHEMBL5724982

CSc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1.C[S+]([O-])c1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR3C1 P04150 2/20 0.40
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
TOP2A P11388 1/20 0.37
MITF O75030 1/20 0.37
GCK P35557 1/20 0.36
F10 P00742 4/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36

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
SCHEMBL4276808 0.95 NR3C1 (0.42) NR3C1JAK2JAK1IRAK4TOP2A
SCHEMBL4269932 0.94 NPC1 (0.52) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL13608569 0.90 NPC1 (0.51) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL3156903 0.88 F10 (0.45) NR3C1TOP2AF10CACNB4CACNA1A
SCHEMBL3160208 0.88 KDM4E (0.53) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4279561 0.87 KDM4E (0.43) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4282234 0.87 F10 (0.44) NPC1RAB9AKDM4ENR3C1JAK2
SCHEMBL4272243 0.87 TOP2A (0.41) NPC1RAB9AKDM4ENR3C1TOP2A
SCHEMBL13608572 0.86 NPC1 (0.49) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL3159116 0.86 F10 (0.48) F10KCNH2

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-1644334-A1 ANTITHROMBOTIC ETHERS Eli Lilly and Company (US) 2006-04-12 EP disclosed
WO-2004108677-A1 ANTITHROMBOTIC ETHERS ELI LILLY AND COMPANY (US) 2004-12-16 WO disclosed