SCHEMBL22579703

SCHEMBL22579703

CSc1ncnn2c([C@H]3C[C@H](OCc4ccccc4)[C@@H](COCc4ccccc4)O3)cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.36
▸ HSPA5 P11021 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PTPN1 P18031 6/20 0.33
▸ CDC25B P30305 6/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ PTPN2 P17706 2/20 0.31
▸ PTPN6 P29350 2/20 0.31
▸ PTPN11 Q06124 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 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
SCHEMBL17106843 0.83 HTR1A (0.41) HSPA5CA1CA2CA9PTPN1
SCHEMBL17106842 0.83 HTR1A (0.41) HSPA5CA1CA2CA9PTPN1
SCHEMBL29397234 0.81 PDE2A (0.43) HSPA5CA1CA2CA9PTPN1
SCHEMBL24557909 0.81 PDE2A (0.43) HSPA5CA1CA2CA9PTPN1
SCHEMBL22569894 0.81 HRH4 (0.34) HSPA5PDE2AHRH4HRH3
SCHEMBL24736805 0.76 PDE4D (0.38) PDE4DHSPA5CA1CA2CA9
SCHEMBL29569250 0.75 PDE2A (0.34) PDE2ABCHEACHETSHRCASP3
SCHEMBL17131352 0.74 SLC29A1 (0.31) TSHRCASP3RAB9ASENP8SENP7
SCHEMBL19343957 0.74 PDE4D (0.34) PDE4DPDE2AHTR1ABCHEACHE
SCHEMBL19412708 0.73 PTPN1 (0.34) HSPA5PTPN1CDC25BPDE2AHTR1A

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-2020211672-A1 CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — WO disclosed
Send feedback