SCHEMBL20097049

SCHEMBL20097049

Nc1ncnc2c1ncn2C1OC(CNCn2cnc3c(NCc4ccco4)ncnc32)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.51
▸ TP53 P04637 3/20 0.51
▸ PAX8 Q06710 2/20 0.51
▸ SLC29A1 Q99808 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MITF O75030 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ DOT1L Q8TEK3 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ AHCY P23526 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ DNPH1 O43598 1/20 0.41

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
SCHEMBL20097018 0.84 ADORA3 (0.70) ADORA3TP53PAX8SLC29A1SMN1; SMN2
SCHEMBL21311158 0.80 HTT (0.41) ADORA3TP53PAX8SLC29A1SMN1; SMN2
SCHEMBL20097216 0.77 DOT1L (0.58) DOT1LAHCY
SCHEMBL20096666 0.75 DOT1L (0.56) ADORA3DOT1LAHCYADORA1
SCHEMBL6890018 0.75 ADORA3 (0.72) ADORA3TP53SLC29A1TDP1ADORA2A
SCHEMBL20096659 0.74 AHCY (0.55) ADORA3SLC29A1SMN1; SMN2DOT1LAHCY
SCHEMBL21311164 0.74 ADORA3 (0.70) ADORA3TP53PAX8SLC29A1SMN1; SMN2
SCHEMBL5961364 0.74 PDE2A (0.64) ADORA3SLC29A1SMN1; SMN2DOT1LAHCY
SCHEMBL11427985 0.74 PDE2A (0.64) ADORA3SLC29A1SMN1; SMN2DOT1LAHCY
SCHEMBL21311159 0.72 HTT (0.46) ADORA3TP53PAX8SLC29A1SMN1; SMN2

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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