SCHEMBL12835936

SCHEMBL12835936

Cc1nc(S(C)(=O)=O)nn2c(C3(O)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3C)cnc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.35
▸ CDC25B P30305 9/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ PTPN2 P17706 5/20 0.32
▸ PTPN6 P29350 5/20 0.32
▸ PTPN11 Q06124 5/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ TACR2 P21452 3/20 0.32
▸ NT5E P21589 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HSPA5 P11021 1/20 0.31
▸ CDC25A P30304 1/20 0.30
▸ ALKBH1 Q13686 1/20 0.30

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
SCHEMBL12243227 0.86 PDE2A (0.37) PTPN1CDC25BCA1CA2CA9
SCHEMBL12836757 0.82 PDE2A (0.38) PTPN1CDC25BBCHEPTPN2PTPN6
SCHEMBL13667496 0.80 PTPN1 (0.34) PTPN1CDC25BBCHEPTPN2PTPN6
SCHEMBL12243231 0.74 HSPA5 (0.33) BCHEPDE2AHSPA5
SCHEMBL12393239 0.73 — —
SCHEMBL13648927 0.73 PDE2A (0.34) PTPN1CDC25BBCHEPTPN2PTPN6
SCHEMBL13667763 0.72 PTPN1 (0.38) PTPN1CDC25BBCHEPTPN2PTPN6
SCHEMBL18788247 0.72 PDE2A (0.35) PTPN1CDC25BBCHEPDE2AHTR1A
SCHEMBL19859840 0.72 PDE2A (0.42) PTPN1CDC25BCA1CA2CA9
SCHEMBL20380388 0.70 TLR7 (0.32) BCHE

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-2011035250-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-03-24 — — WO disclosed
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