SCHEMBL20276932

SCHEMBL20276932

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

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.77
▸ P2RY2 P41231 1/20 0.64
▸ P2RY4 P51582 1/20 0.64
▸ P2RY6 Q15077 1/20 0.64
▸ NT5E P21589 2/20 0.56
▸ TGM2 P21980 1/20 0.52
▸ FUT5 Q11128 1/20 0.51
▸ KRAS P01116 3/20 0.49
▸ TYMP P19971 1/20 0.49
▸ ENPP1 P22413 2/20 0.49
▸ P2RY1 P47900 1/20 0.49
▸ PNP P00491 1/20 0.48
▸ TAS1R3 Q7RTX0 2/20 0.48
▸ TAS1R1 Q7RTX1 2/20 0.48
▸ HINT1 P49773 1/20 0.47
▸ F2 P00734 1/20 0.47

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
SCHEMBL20277563 1.00 POLB (0.77) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL24059956 1.00 POLB (0.77) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL20282863 1.00 POLB (0.77) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL6917413 1.00 POLB (0.77) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL15525577 0.93 POLB (0.74) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL48232 0.93 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL17117812 0.93 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL25171429 0.93 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL1971161 0.93 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL16678590 0.93 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E

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
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
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 — — US disclosed
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