SCHEMBL6692026

SCHEMBL6692026

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)S)C(O)C2O)c(=O)[nH]1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.80
NT5E P21589 1/20 0.75
KRAS P01116 5/20 0.75
FUT5 Q11128 1/20 0.74
P2RX3 P56373 2/20 0.70
P2RY2 P41231 3/20 0.68
P2RY4 P51582 1/20 0.68
P2RY6 Q15077 1/20 0.68
DCPS Q96C86 1/20 0.64
P2RY1 P47900 3/20 0.63
SRC P12931 1/20 0.63
P2RX1 P51575 1/20 0.63
P2RX4 Q99571 1/20 0.63
P2RX2 Q9UBL9 1/20 0.63
ALDH1A1 P00352 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HINT1 P49773 1/20 0.62
IMPDH2 P12268 1/20 0.62

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
SCHEMBL25430382 1.00 TGM2 (0.80) TGM2NT5EKRASFUT5P2RX3
SCHEMBL21067722 0.96 TGM2 (0.85) TGM2NT5EKRASFUT5P2RX3
SCHEMBL29429843 0.96 TGM2 (0.85) TGM2NT5EKRASFUT5P2RX3
SCHEMBL18769114 0.96 TGM2 (0.85) TGM2NT5EKRASFUT5P2RX3
SCHEMBL851357 0.96 TGM2 (0.85) TGM2NT5EKRASFUT5P2RX3
SCHEMBL273448 0.94 TGM2 (0.79) TGM2NT5EKRASFUT5P2RX3
SCHEMBL376139 0.94 TGM2 (0.81) TGM2NT5EKRASFUT5P2RX3
Gtp SCHEMBL5809658 0.94 TGM2 (0.81) TGM2NT5EKRASFUT5P2RX3
SCHEMBL376140 0.94 TGM2 (0.81) TGM2NT5EKRASFUT5P2RX3
SCHEMBL2593095 0.94 TGM2 (0.81) TGM2NT5EKRASFUT5P2RX3

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
WO-2003072757-A9 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA INC (US) 2004-10-21 WO disclosed
WO-1989012643-A1 PURIFIED VASOPRESSIN V1 RECEPTOR, METHOD OF MAKING SAME, AND USE OF THE RECEPTOR IN A DIAGNOSTIC ASSAY SYNERGEN, INC. (US) 1989-12-28 WO disclosed