SCHEMBL13667763

SCHEMBL13667763

C[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OC1(O)c1ccc2c(N)nc(N)nn12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.38
▸ CDC25B P30305 9/20 0.38
▸ PDE2A O00408 1/20 0.36
▸ HSPA5 P11021 1/20 0.35
▸ PTPN2 P17706 6/20 0.35
▸ PTPN11 Q06124 6/20 0.35
▸ PTPN6 P29350 5/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ SSTR1 P30872 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ GJB2 P29033 1/20 0.33
▸ CDC25A P30304 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
SCHEMBL12836757 0.87 PDE2A (0.38) PTPN1CDC25BPDE2AHSPA5PTPN2
SCHEMBL13667906 0.87 HSPA5 (0.38) PTPN1CDC25BPDE2AHSPA5PTPN2
SCHEMBL16698934 0.82 PDE2A (0.39) PTPN1CDC25BPDE2AHSPA5PTPN2
SCHEMBL10142663 0.80 HSPA5 (0.34) PTPN1CDC25BPDE2AHSPA5PTPN2
SCHEMBL27086454 0.78 PDE2A (0.37) PTPN1CDC25BPDE2AHSPA5PTPN2
SCHEMBL12393373 0.78 PDE2A (0.37) PTPN1CDC25BPDE2AHSPA5PTPN2
SCHEMBL31063739 0.78 PDE2A (0.37) PTPN1CDC25BPDE2AHSPA5PTPN2
SCHEMBL12243141 0.78 PDE2A (0.37) PTPN1CDC25BPDE2AHSPA5PTPN2
SCHEMBL18636484 0.76 PDE2A (0.39) PTPN1CDC25BPDE2AHSPA5PTPN2
SCHEMBL29113115 0.76 PDE2A (0.39) PTPN1CDC25BPDE2AHSPA5PTPN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009132135-A1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 — — WO disclosed
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