Sugi Predict

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SCHEMBL7023924

SCHEMBL7023924

O=C(c1ccccc1)C(O)[C@H]1O[C@@H](n2cnc3c(-n4cccn4)ncnc32)[C@@](O)(C(=O)c2ccccc2)[C@@]1(O)C(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ P2RX4 Q99571 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ DOT1L Q8TEK3 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ SLC29A1 Q99808 1/20 0.30
▸ DNMT3B Q9UBC3 1/20 0.30
▸ GNMT Q14749 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
SCHEMBL8915086 0.77 LMNA (0.38) LMNAADORA2AADORA3
SCHEMBL6305933 0.72 — —
SCHEMBL383222 0.70 AHCY (0.44) P2RX3P2RX4P2RX2ADORA2AADORA3
SCHEMBL9237423 0.69 ABL1 (0.31) —
SCHEMBL9221120 0.69 NT5E (0.36) SLC29A1
SCHEMBL6256517 0.69 NT5E (0.36) SLC29A1
Hydrochloric Acid SCHEMBL11628085 0.69 PDE3A (0.40) LMNASLC29A1
SCHEMBL8367093 0.68 SMN1; SMN2 (0.33) —
SCHEMBL7860392 0.68 AHCY (0.49) LMNAADORA2AADORA3DOT1LGNMT
SCHEMBL794862 0.68 P2RY2 (0.31) —

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-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 — — WO disclosed