SCHEMBL20096665

SCHEMBL20096665

COc1ccccc1-n1cc(CNCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)nn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.56
▸ DOT1L Q8TEK3 3/20 0.52
▸ IMPDH2 P12268 1/20 0.52
▸ IMPDH1 P20839 1/20 0.52
▸ NNMT P40261 1/20 0.51
▸ ADORA1 P30542 3/20 0.50
▸ DPP4 P27487 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ SLC28A1 O00337 1/20 0.49
▸ MAP3K7 O43318 1/20 0.49
▸ SLC28A2 O43868 1/20 0.49
▸ GAPDH P04406 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ STAT6 P42226 1/20 0.49
▸ PI4KA P42356 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL20096928 0.79 ATM (0.67) ATMDOT1LNNMTADORA1DPP4
SCHEMBL6900816 0.78 ATM (0.76) ATMDOT1LADORA1DPP4MEN1
SCHEMBL20096664 0.78 ATM (0.54) ATMDOT1LNNMTADORA1DPP4
SCHEMBL20097210 0.77 NNMT (0.60) DOT1LNNMTADORA1DPP4MEN1
SCHEMBL9341019 0.77 ADORA1 (0.68) DOT1LADORA1DPP4MEN1SLC28A1
SCHEMBL20097214 0.76 TRPM2 (0.59) DOT1L
SCHEMBL7171951 0.74 AHCY (0.66) DOT1LADORA1DPP4MEN1SLC28A1
SCHEMBL7060100 0.74 AHCY (0.66) DOT1LADORA1DPP4MEN1SLC28A1
SCHEMBL20096727 0.74 DOT1L (0.54) ATMDOT1LNNMTADORA1DPP4
SCHEMBL13269158 0.73 ADORA1 (0.63) DOT1LADORA1DPP4MEN1SLC28A1

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-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 — — WO disclosed
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