SCHEMBL24780873

SCHEMBL24780873

CC1(C)O[C@@H]2[C@H](O1)[C@@H](COC(=O)[C@]1(C)CCCO1)O[C@H]2n1ccc(-n2cncn2)nc1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
RXFP1 Q9HBX9 1/20 0.32
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX4 Q99571 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RY2 P41231 1/20 0.30
PI4KA P42356 1/20 0.30
PI4K2B Q8TCG2 1/20 0.30
PI4K2A Q9BTU6 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL24780302 0.87 ALDH1A1 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24780875 0.86 P2RY2 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL21345149 0.84 ALDH1A1 (0.38) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24780839 0.84 ALDH1A1 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24781001 0.84 ALDH1A1 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24780874 0.83 P2RY6 (0.38) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL24781018 0.80 ALDH1A1 (0.35) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24781048 0.80 ALDH1A1 (0.40) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24781322 0.78 P2RX1 (0.33) RXFP1P2RX1P2RX3P2RX4P2RY2
SCHEMBL21346049 0.76 ALDH1A1 (0.32) ALDH1A1RXFP1

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
WO-2022262845-A1 ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) 2022-12-22 WO disclosed