SCHEMBL29908537

SCHEMBL29908537

CC1(C)O[C@@H]2[C@H](O1)[C@@H](COS(C)(=O)=O)O[C@H]2n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.56
▸ P2RY12 Q9H244 10/20 0.49
▸ P2RX1 P51575 1/20 0.48
▸ P2RX3 P56373 1/20 0.48
▸ P2RX4 Q99571 1/20 0.48
▸ PI4KA P42356 1/20 0.47
▸ PI4K2B Q8TCG2 1/20 0.47
▸ PI4K2A Q9BTU6 1/20 0.47
▸ PI4KB Q9UBF8 1/20 0.47
▸ PRMT6 Q96LA8 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
SCHEMBL23578588 1.00 RXFP1 (0.56) RXFP1P2RY12P2RX1P2RX3P2RX4
SCHEMBL1795447 0.94 RXFP1 (0.58) RXFP1P2RY12P2RX1P2RX3P2RX4
SCHEMBL22393029 0.90 RXFP1 (0.54) RXFP1P2RY12P2RX1P2RX3P2RX4
SCHEMBL15456117 0.89 P2RY12 (0.51) RXFP1P2RY12P2RX1P2RX3P2RX4
SCHEMBL14388686 0.89 P2RY12 (0.51) RXFP1P2RY12P2RX1P2RX3P2RX4
SCHEMBL14372074 0.89 P2RY12 (0.52) RXFP1P2RY12P2RX1P2RX3P2RX4
SCHEMBL21504639 0.88 PI4KA (0.52) P2RY12PI4KAPI4K2BPI4K2API4KB
SCHEMBL22402681 0.88 PI4KA (0.62) RXFP1P2RY12PI4KAPI4K2BPI4K2A
SCHEMBL22601403 0.88 PI4KA (0.62) RXFP1P2RY12PI4KAPI4K2BPI4K2A
SCHEMBL16378775 0.88 PI4KA (0.62) RXFP1P2RY12PI4KAPI4K2BPI4K2A

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
EP-4082579-A1 POLYNUCLEOTIDE AND MEDICINAL COMPOSITION National University Corporation Tokai National Higher Education and Research System (JP) 2022-11-02 — — EP disclosed
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