SCHEMBL8982506

SCHEMBL8982506

CCCCn1c(=O)[nH]c(=O)c2c1nc(Cc1ccccc1)n2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ TPH1 P17752 2/20 0.41
▸ TPH2 Q8IWU9 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TNF P01375 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL7744306 0.87 KMT2A (0.50) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7743866 0.71 PDE4A (0.46) ALDH1A1HTTNPSR1TSHRPKM
SCHEMBL7743868 0.71 PDE4A (0.46) ALDH1A1HTTNPSR1TSHRPKM
SCHEMBL7744421 0.69 PDE4A (0.47) KMT2AALDH1A1NPSR1TSHRPKM
SCHEMBL7744419 0.69 PDE4A (0.47) KMT2AALDH1A1NPSR1TSHRPKM
SCHEMBL8982547 0.68 ADORA3 (0.43) —
SCHEMBL3913242 0.66 SLC5A2 (0.44) —
SCHEMBL19090458 0.65 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7744308 0.65 ADORA3 (0.48) —
SCHEMBL7744402 0.65 ADORA3 (0.48) —

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-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 — — EP disclosed
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