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Sugi Predict / Compounds / SCHEMBL14039016

SCHEMBL14039016

SCHEMBL14039016

C[C@@]1(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@]1(O)c1ccc2n1N=C(N)NC2N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.33
▸ CDC25B P30305 6/20 0.33
▸ BCHE P06276 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ PTPN2 P17706 2/20 0.30
▸ PTPN6 P29350 2/20 0.30
▸ PTPN11 Q06124 2/20 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
SCHEMBL12393393 0.75 HSPA5 (0.36) PTPN1CDC25BBCHE
SCHEMBL19088037 0.75 HSPA5 (0.36) PTPN1CDC25BBCHE
SCHEMBL10082719 0.75 HSPA5 (0.36) PTPN1CDC25BBCHE
SCHEMBL10142663 0.75 HSPA5 (0.34) PTPN1CDC25BBCHEPTPN2PTPN6
SCHEMBL10142704 0.75 PDE9A (0.32) PTPN1CDC25BBCHEHTR1A
SCHEMBL12393235 0.73 HSPA5 (0.37) —
SCHEMBL2374198 0.72 HSPA5 (0.35) BCHE
SCHEMBL12243232 0.72 HSPA5 (0.35) BCHE
SCHEMBL19997429 0.72 HSPA5 (0.35) BCHE
SCHEMBL13531952 0.72 BCHE (0.33) BCHEHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — US disclosed
US-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — US disclosed
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