SCHEMBL25263772

SCHEMBL25263772

CC(C)(C)[Si](C)(C)Nc1ncnn2c(C3(O)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.36
▸ PTPN1 P18031 10/20 0.34
▸ CDC25B P30305 8/20 0.34
▸ PTPN2 P17706 5/20 0.33
▸ PTPN6 P29350 3/20 0.33
▸ PTPN11 Q06124 3/20 0.33
▸ CDC25A P30304 2/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HSPA5 P11021 1/20 0.32
▸ MDM4 O15151 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ NT5E P21589 1/20 0.30
▸ TMPRSS2 O15393 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
SCHEMBL25220161 0.91 BCHE (0.33) BCHEPTPN1CDC25BPTPN2PTPN6
SCHEMBL25229913 0.89 PTPN1 (0.38) BCHEPTPN1CDC25BPTPN2PTPN6
SCHEMBL13667662 0.85 PTPN1 (0.37) BCHEPTPN1CDC25BPTPN2PTPN6
SCHEMBL27086454 0.83 PDE2A (0.37) BCHEPTPN1CDC25BPTPN2PTPN6
SCHEMBL12243141 0.83 PDE2A (0.37) BCHEPTPN1CDC25BPTPN2PTPN6
SCHEMBL31063739 0.83 PDE2A (0.37) BCHEPTPN1CDC25BPTPN2PTPN6
SCHEMBL28405132 0.83 BCHE (0.38) BCHEPTPN1CDC25BPTPN2PTPN6
SCHEMBL12393373 0.83 PDE2A (0.37) BCHEPTPN1CDC25BPTPN2PTPN6
SCHEMBL17106824 0.82 PTPN1 (0.36) BCHEPTPN1CDC25BPTPN2PTPN6
SCHEMBL25225235 0.80 TMPRSS2 (0.35) BCHETMPRSS2

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
EP-4192839-A1 REMDESIVIR INTERMEDIATES Richter Gedeon Nyrt. (HU) 2023-06-14 — — EP disclosed
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