SCHEMBL18512901

SCHEMBL18512901

CO[C@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(C)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ ADORA3 P0DMS8 4/20 0.59
▸ ADORA1 P30542 3/20 0.58
▸ DPP4 P27487 1/20 0.57
▸ SLC28A1 O00337 1/20 0.57
▸ MAP3K7 O43318 1/20 0.57
▸ SLC28A2 O43868 1/20 0.57
▸ GAPDH P04406 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ ADORA2A P29274 1/20 0.57
▸ ADORA2B P29275 1/20 0.57
▸ STAT6 P42226 1/20 0.57
▸ PI4KA P42356 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ PI4K2B Q8TCG2 1/20 0.57
▸ DOT1L Q8TEK3 1/20 0.57
▸ SLC29A1 Q99808 1/20 0.57
▸ PI4K2A Q9BTU6 1/20 0.57
▸ SLC28A3 Q9HAS3 1/20 0.57

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
SCHEMBL16940285 0.91 MEN1 (0.56) MEN1KMT2AADORA3ADORA1DPP4
SCHEMBL19399434 0.91 MEN1 (0.56) MEN1KMT2AADORA3ADORA1DPP4
SCHEMBL26937463 0.91 MEN1 (0.55) MEN1KMT2AADORA3ADORA1DPP4
SCHEMBL20995821 0.89 MEN1 (0.66) MEN1KMT2AADORA3ADORA1DPP4
SCHEMBL658713 0.89 MEN1 (0.66) MEN1KMT2AADORA3ADORA1DPP4
SCHEMBL658714 0.89 MEN1 (0.66) MEN1KMT2AADORA3ADORA1DPP4
SCHEMBL29406864 0.89 MEN1 (0.66) MEN1KMT2AADORA3ADORA1DPP4
SCHEMBL23050294 0.88 ADORA3 (0.75) MEN1KMT2AADORA3ADORA1DPP4
SCHEMBL6635214 0.88 MEN1 (0.65) MEN1KMT2AADORA3ADORA1DPP4
SCHEMBL25936 0.88 ADORA3 (0.75) MEN1KMT2AADORA3ADORA1DPP4

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-11339441-B2 Profiling chemically modified DNA/RNA units for disease and cancer diagnosis THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-05-24 — — US disclosed
US-20170044619-A1 PROFILING CHEMICALLY MODIFIED DNA/RNA UNITS FOR DISEASE AND CANCER DIAGNOSIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2017-02-16 — — US disclosed
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