SCHEMBL5790133

SCHEMBL5790133

Nc1nc(F)nc2c1ncn2C1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.76
PNP P00491 1/20 0.76
TP53 P04637 1/20 0.76
HTT P42858 1/20 0.76
PDE4D Q08499 1/20 0.76
PDE3A Q14432 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
RXFP1 Q9HBX9 1/20 0.76
HIF1A Q16665 2/20 0.65
NT5E P21589 1/20 0.65
AHCY P23526 4/20 0.59
ADRB1 P08588 1/20 0.57
DNMT1 P26358 1/20 0.57
PIM1 P11309 1/20 0.54
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54

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
SCHEMBL1470361 1.00 LMNA (0.76) LMNAPNPTP53HTTPDE4D
SCHEMBL976991 1.00 LMNA (0.76) LMNAPNPTP53HTTPDE4D
SCHEMBL15623873 1.00 LMNA (0.76) LMNAPNPTP53HTTPDE4D
SCHEMBL5982283 1.00 LMNA (0.76) LMNAPNPTP53HTTPDE4D
SCHEMBL5982273 1.00 LMNA (0.76) LMNAPNPTP53HTTPDE4D
SCHEMBL23982169 1.00 LMNA (0.76) LMNAPNPTP53HTTPDE4D
SCHEMBL976990 1.00 LMNA (0.76) LMNAPNPTP53HTTPDE4D
SCHEMBL16178342 0.91 LMNA (0.63) LMNAPNPTP53HTTPDE4D
SCHEMBL16178343 0.91 LMNA (0.63) LMNAPNPTP53HTTPDE4D
SCHEMBL998385 0.90 PNP (0.78) LMNAPNPTP53HTTPDE4D

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
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed