SCHEMBL20343837

SCHEMBL20343837

O=C(Nc1nc(C2=CC(CO)CC(O)=C2)c(-c2ccccc2)s1)c1ccc(O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLTP P55058 10/20 0.48
▸ TOP1 P11387 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RRM1 P23921 1/20 0.38
▸ RRM2B Q7LG56 1/20 0.38

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
SCHEMBL20343833 0.88 PLTP (0.48) PLTPTOP1SMN1; SMN2KMT2AHPGD
Coh-29 SCHEMBL29424344 0.78 PLTP (0.61) PLTPTOP1SMN1; SMN2KMT2AHPGD
Coh-29 SCHEMBL31436912 0.78 PLTP (0.61) PLTPTOP1SMN1; SMN2KMT2AHPGD
Coh-29 SCHEMBL10036527 0.78 PLTP (0.61) PLTPTOP1SMN1; SMN2KMT2AHPGD
SCHEMBL12940263 0.73 PLTP (0.59) PLTPTOP1SMN1; SMN2KMT2AHPGD
SCHEMBL235132 0.67 ADORA2A (0.76) SMN1; SMN2KMT2AHPGDMAPTKDM4E
SCHEMBL235268 0.67 ADORA3 (0.76) SMN1; SMN2KMT2AHPGDMAPTKDM4E
SCHEMBL2753880 0.66 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AHPGDMAPTKDM4E
SCHEMBL2753294 0.66 ADORA3 (0.74) SMN1; SMN2KMT2AHPGDMAPTKDM4E
SCHEMBL10002071 0.66 PLTP (0.63) PLTPTOP1MAPTRRM1RRM2B

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
EP-2809662-B1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE HOPE CITY (US) 2018-07-04 — — EP disclosed
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