SCHEMBL12820927

SCHEMBL12820927

C[n+]1cn([C@H]2O[C@@H](CO)C(O)C2O)c2nc(N)[nH]c(=O)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.56
▸ TLR7 Q9NYK1 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CYP3A4 P08684 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ MTOR P42345 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ GMNN O75496 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ DNMT1 P26358 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL12959076 1.00 PNP (0.56) PNPTLR7MEN1KMT2ACYP3A4
SCHEMBL40998 1.00 PNP (0.56) PNPTLR7MEN1KMT2ACYP3A4
SCHEMBL30326363 0.99 PNP (0.55) PNPTLR7MEN1KMT2ACYP3A4
SCHEMBL30867121 0.92 PNP (0.47) PNPTLR7MEN1KMT2ACYP3A4
Cytidine SCHEMBL28233906 0.91 LMNA (0.65) PNPTLR7MEN1KMT2ACYP3A4
SCHEMBL19552748 0.91 PNP (0.48) PNPTLR7MEN1KMT2ACYP3A4
SCHEMBL19183038 0.91 PNP (0.45) PNPTLR7MEN1KMT2AHINT1
Triphosphate SCHEMBL31158164 0.90 PNP (0.47) PNPTLR7MEN1KMT2ALMNA
SCHEMBL29565496 0.89 PNP (0.45) PNPTLR7MEN1KMT2ACYP3A4
SCHEMBL29714505 0.89 PNP (0.47) PNPTLR7MEN1KMT2ACYP3A4

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-2011035009-A1 HETEROCYCLIC GTP CYCLOHYDROLASE 1 INHIBITORS FOR THE TREATMENT OF PAIN HERCULES TECHNOLOGY MANAGEMENT CO V, INC. (US) 2011-03-24 — — WO disclosed
Send feedback