SCHEMBL14817042

SCHEMBL14817042

C[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OC1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.35
▸ PTPN1 P18031 5/20 0.34
▸ CDC25B P30305 5/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ TMPRSS2 O15393 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ PTPN6 P29350 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32

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
SCHEMBL12243178 0.92 PDE2A (0.35) HSPA5PTPN1CDC25BPDE2ATMPRSS2
SCHEMBL20477154 0.92 PDE2A (0.35) HSPA5PTPN1CDC25BPDE2ATMPRSS2
SCHEMBL20553048 0.92 PDE2A (0.35) HSPA5PTPN1CDC25BPDE2ATMPRSS2
SCHEMBL29727834 0.92 PDE2A (0.35) HSPA5PTPN1CDC25BPDE2ATMPRSS2
SCHEMBL17712276 0.92 PDE2A (0.35) HSPA5PTPN1CDC25BPDE2ATMPRSS2
SCHEMBL27086511 0.92 PDE2A (0.35) HSPA5PTPN1CDC25BPDE2ATMPRSS2
SCHEMBL24158032 0.90 PDE2A (0.38) HSPA5PTPN1CDC25BPDE2ATMPRSS2
SCHEMBL22646505 0.90 PDE2A (0.38) HSPA5PTPN1CDC25BPDE2ATMPRSS2
Maleic Acid SCHEMBL20552110 0.86 TMPRSS2 (0.36) HSPA5PTPN1CDC25BPDE2ATMPRSS2
SCHEMBL31725309 0.86 PDE2A (0.36) HSPA5PDE2ATMPRSS2TNK2

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-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 — — EP disclosed
WO-2013040492-A2 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2013-03-21 — — WO disclosed
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