SCHEMBL20282956

SCHEMBL20282956

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

nearest known ligand 0.80

Predicted protein targets (top 17)

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
P2RY1 P47900 4/20 0.68
P2RY11 Q96G91 1/20 0.68
P2RY2 P41231 3/20 0.68
P2RY4 P51582 1/20 0.68
P2RY6 Q15077 1/20 0.68
DCPS Q96C86 1/20 0.64
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

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
SCHEMBL2706655 1.00 TGM2 (0.80) TGM2NT5EKRASFUT5P2RX3
SCHEMBL932313 1.00 TGM2 (0.80) TGM2NT5EKRASFUT5P2RX3
SCHEMBL29399391 1.00 TGM2 (0.80) TGM2NT5EKRASFUT5P2RX3
SCHEMBL20277520 1.00 TGM2 (0.80) TGM2NT5EKRASFUT5P2RX3
SCHEMBL20277656 1.00 TGM2 (0.80) TGM2NT5EKRASFUT5P2RX3
SCHEMBL29429843 0.96 TGM2 (0.85) TGM2NT5EKRASFUT5P2RX3
SCHEMBL851357 0.96 TGM2 (0.85) TGM2NT5EKRASFUT5P2RX3
SCHEMBL21067722 0.96 TGM2 (0.85) TGM2NT5EKRASFUT5P2RX3
SCHEMBL18769114 0.96 TGM2 (0.85) TGM2NT5EKRASFUT5P2RX3
Gtp SCHEMBL17367368 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
US-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 US disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed