SCHEMBL31527798

SCHEMBL31527798

CSc1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.[Na].[Na]

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 6/20 0.69
ENPP1 P22413 4/20 0.69
P2RY12 Q9H244 2/20 0.69
P2RY11 Q96G91 3/20 0.68
P2RX1 P51575 1/20 0.68
P2RX3 P56373 1/20 0.68
P2RY6 Q15077 1/20 0.68
P2RX4 Q99571 1/20 0.68
BLM P54132 2/20 0.63
LMNA P02545 1/20 0.63
KMT2A Q03164 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
PMP22 Q01453 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL31527844 0.91 P2RX3 (0.66) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL10567088 0.89 P2RY1 (0.69) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL8862410 0.89 P2RY1 (0.86) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL2527383 0.89 P2RY1 (0.86) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL3490789 0.89 P2RY1 (0.86) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL188740 0.87 CA5A (0.68) P2RY1P2RY11
Ammonia Solution, Strong SCHEMBL4362929 0.86 CA5A (0.67) P2RY1P2RY11
SCHEMBL31527983 0.86 IMPDH2 (0.67) P2RY1ENPP1P2RY12P2RY11P2RX3
SCHEMBL31527789 0.86 CA5A (0.62) P2RY1P2RY11P2RX3
SCHEMBL27182935 0.85 NT5E (0.70) P2RY1ENPP1P2RY12P2RY11P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968127-A Animal food compositions with improved palatability and customizable properties and methods of making the same 玛氏公司 2025-05-09 CN disclosed