SCHEMBL8445692

SCHEMBL8445692

CCCCCCCCCCCCCCCC(=O)Nc1nc2c(ncn2[C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.67
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
PNP P00491 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3A Q14432 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TK2 O00142 1/20 0.46

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
SCHEMBL5361588 1.00 POLA1 (0.67) POLA1KDM4EALDH1A1TAS1R3TAS1R1
SCHEMBL5367337 0.97 POLA1 (0.69) POLA1KDM4EALDH1A1TAS1R3TAS1R1
SCHEMBL5347297 0.90 POLA1 (0.55) POLA1KDM4EALDH1A1TAS1R3TAS1R1
SCHEMBL16206605 0.88 POLA1 (0.59) POLA1KDM4ETAS1R3TAS1R1PNP
SCHEMBL6897208 0.87 POLA1 (0.70) POLA1KDM4EPNPLMNATP53
SCHEMBL8535281 0.87 POLA1 (0.70) POLA1KDM4EPNPLMNATP53
SCHEMBL6897217 0.87 POLA1 (0.70) POLA1KDM4EPNPLMNATP53
SCHEMBL29559302 0.87 POLA1 (0.66) POLA1KDM4ETAS1R3TAS1R1PNP
SCHEMBL890293 0.87 POLA1 (0.66) POLA1KDM4ETAS1R3TAS1R1PNP
SCHEMBL30208480 0.85 POLA1 (0.61) POLA1KDM4ETAS1R3TAS1R1PNP

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-0771204-A4 METHODS FOR TREATING SEPSIS OR INFLAMMATORY DISEASES WITH OXYPURINE NUCLEOSIDES PRO NEURON INC (US) 1999-10-20 EP disclosed
WO-1996004923-A1 METHODS FOR TREATING SEPSIS OR INFLAMMATORY DISEASES WITH OXYPURINE NUCLEOSIDES PRO-NEURON, INC. (US) 1996-02-22 WO disclosed