SCHEMBL5728099

SCHEMBL5728099

CCOC(CN)COc1cc(S(C)(=O)=O)ccc1C(=O)Nc1cccnc1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.47
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4279739 0.93 F10 (0.48) F10RXFP1NPC1RAB9AKDM4E
SCHEMBL4278856 0.93 F10 (0.48) F10RXFP1NPC1RAB9AKDM4E
SCHEMBL4279747 0.93 F10 (0.48) F10RXFP1NPC1RAB9AKDM4E
SCHEMBL13608783 0.92 F10 (0.47) F10
SCHEMBL4270580 0.92 F10 (0.47) F10
SCHEMBL4270569 0.92 F10 (0.47) F10
Hydrochloric Acid SCHEMBL4269583 0.91 F10 (0.46) F10
Hydrochloric Acid SCHEMBL4269593 0.91 F10 (0.46) F10
SCHEMBL4274154 0.90 F10 (0.49) F10RXFP1NPC1RAB9AKDM4E
SCHEMBL4283862 0.90 F10 (0.49) F10RXFP1NPC1RAB9AKDM4E

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