SCHEMBL22862138

SCHEMBL22862138

Nc1nc(F)nc2c1ncn2C1CC[C@@H](CO)O1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
NT5E P21589 1/20 0.58
HIF1A Q16665 1/20 0.58
ALDH1A1 P00352 1/20 0.57
ALB P02768 1/20 0.57
MAPK1 P28482 1/20 0.57
AHCY P23526 4/20 0.56
CYP1A2 P05177 1/20 0.53
PNP P00491 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3A Q14432 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CA5A P35218 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 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
SCHEMBL3054167 1.00 LMNA (0.58) LMNANT5EHIF1AALDH1A1ALB
SCHEMBL2808298 1.00 LMNA (0.58) LMNANT5EHIF1AALDH1A1ALB
SCHEMBL3047081 0.90 LMNA (0.50) LMNANT5EHIF1AALDH1A1ALB
SCHEMBL25712959 0.88 LMNA (0.59) LMNANT5EHIF1AALDH1A1ALB
SCHEMBL3239663 0.88 LMNA (0.59) LMNANT5EHIF1AALDH1A1ALB
SCHEMBL7435133 0.87 LMNA (0.58) LMNANT5EHIF1AALDH1A1ALB
SCHEMBL4306006 0.87 LMNA (0.55) LMNANT5EHIF1AALDH1A1ALB
SCHEMBL5548925 0.86 LMNA (0.57) LMNANT5EALDH1A1ALBMAPK1
SCHEMBL8124562 0.86 LMNA (0.65) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL9601706 0.86 LMNA (0.57) LMNAALDH1A1ALBMAPK1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178128-A1 METHODS OF TREATING MEDICAL CONDITIONS USING ISLATRAVIR OR A RELATED COMPOUND ROME THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
WO-2021003129-A2 ENGINEERED ACETATE KINASE VARIANT ENZYMES CODEXIS, INC. (US) 2021-01-07 WO disclosed
WO-2021003132-A1 ENGINEERED SUCROSE PHOSPHORYLASE VARIANT ENZYMES CODEXIS, INC. (US) 2021-01-07 WO disclosed