SCHEMBL23960116

SCHEMBL23960116

C=C(C)C1(c2ccc3c(N)ncnn23)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.35
▸ PTPN1 P18031 6/20 0.34
▸ CDC25B P30305 6/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ PTPN2 P17706 2/20 0.32
▸ PTPN6 P29350 2/20 0.32
▸ PTPN11 Q06124 2/20 0.32
▸ TACR2 P21452 2/20 0.31
▸ RIPK1 Q13546 2/20 0.31
▸ SSTR1 P30872 1/20 0.31
▸ SSTR2 P30874 1/20 0.31
▸ SSTR4 P31391 1/20 0.31
▸ SSTR3 P32745 1/20 0.31
▸ SSTR5 P35346 1/20 0.31

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
SCHEMBL23959856 0.92 PTPN1 (0.38) HSPA5PTPN1CDC25BPDE2ABCHE
SCHEMBL12393373 0.86 PDE2A (0.37) HSPA5PTPN1CDC25BPDE2ABCHE
SCHEMBL12243141 0.86 PDE2A (0.37) HSPA5PTPN1CDC25BPDE2ABCHE
SCHEMBL31063739 0.86 PDE2A (0.37) HSPA5PTPN1CDC25BPDE2ABCHE
SCHEMBL27086454 0.86 PDE2A (0.37) HSPA5PTPN1CDC25BPDE2ABCHE
SCHEMBL18636443 0.85 PDE2A (0.37) HSPA5PTPN1CDC25BPDE2ABCHE
SCHEMBL12393257 0.85 PDE2A (0.37) HSPA5PTPN1CDC25BPDE2ABCHE
SCHEMBL14039002 0.84 PDE2A (0.37) HSPA5PTPN1CDC25BPDE2AHTR1A
SCHEMBL12393377 0.84 PTPN1 (0.36) HSPA5PTPN1CDC25BPDE2ABCHE
SCHEMBL25826686 0.84 PDE2A (0.36) HSPA5PTPN1CDC25BPDE2ABCHE

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-2021213288-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG 中国科学院上海药物研究所 (CN) 2021-10-28 — — WO disclosed
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