SCHEMBL5316773

SCHEMBL5316773

O=C(Oc1ncnc2nc[nH]c12)c1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ PDPK1 O15530 1/20 0.44
▸ CDC7 O00311 3/20 0.41
▸ DBF4 Q9UBU7 3/20 0.41
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CDK1 P06493 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ MGMT P16455 1/20 0.35
▸ PI4KA P42356 2/20 0.35
▸ PI4K2B Q8TCG2 2/20 0.35
▸ PI4K2A Q9BTU6 2/20 0.35
▸ PI4KB Q9UBF8 2/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ XDH P47989 1/20 0.35

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
Orotic Acid SCHEMBL5316770 0.73 ALDH1A1 (0.62) CYP1A2LMNAALDH1A1TSHR
SCHEMBL2938609 0.72 PDPK1 (0.62) CYP1A2PDPK1CDC7DBF4LMNA
SCHEMBL2938157 0.72 CDC7 (0.59) CYP1A2PDPK1CDC7DBF4LMNA
SCHEMBL17165605 0.70 MKNK1 (0.52) PDPK1CDC7DBF4LMNAALDH1A1
SCHEMBL11841644 0.69 CYP1A2 (0.71) CYP1A2LMNAALDH1A1GPR84TSHR
SCHEMBL38657082 0.69 PDPK1 (0.57) CYP1A2PDPK1CDC7DBF4LMNA
SCHEMBL8187698 0.69 PDPK1 (0.53) PDPK1CDC7DBF4LMNACDK1
SCHEMBL10718858 0.68 PDPK1 (0.43) PDPK1CDC7DBF4LMNACDK1
SCHEMBL4397297 0.68 PDPK1 (0.55) PDPK1CDC7DBF4LMNACDK1
Ammonia Solution, Strong SCHEMBL28111982 0.68 CYP1A2 (0.69) CYP1A2LMNAALDH1A1GPR84

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-2007055860-A2 LOW RADIOCARBON NUCLEOTIDE AND AMINO ACID DIETARY SUPPLEMENTS WILLIAMS CHRISTOPHER P (US) 2007-05-18 — — WO disclosed
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