SCHEMBL30848990

SCHEMBL30848990

O=[N+]([O-])c1ccccc1CO[C@H]1C[C@H](n2cnc3c(O)ncnc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.45
P2RX4 Q99571 8/20 0.45
P2RX7 Q99572 1/20 0.45
P2RX2 Q9UBL9 6/20 0.45
P2RX1 P51575 5/20 0.45
NT5E P21589 1/20 0.44
P2RY1 P47900 3/20 0.43
P2RY12 Q9H244 3/20 0.43
P2RY2 P41231 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
ENPP1 P22413 1/20 0.42
P2RY6 Q15077 1/20 0.41

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
SCHEMBL30848930 0.92 P2RX3 (0.53) P2RX3P2RX4P2RX7P2RX2P2RX1
SCHEMBL888262 0.92 P2RX3 (0.53) P2RX3P2RX4P2RX7P2RX2P2RX1
SCHEMBL21564046 0.92 P2RX3 (0.53) P2RX3P2RX4P2RX7P2RX2P2RX1
SCHEMBL888089 0.92 P2RX3 (0.53) P2RX3P2RX4P2RX7P2RX2P2RX1
SCHEMBL14665951 0.92 P2RX3 (0.53) P2RX3P2RX4P2RX7P2RX2P2RX1
SCHEMBL30612478 0.86 SLC29A1 (0.49)
SCHEMBL26233355 0.84 P2RY12 (0.45) P2RX3P2RX4P2RX2P2RX1NT5E
SCHEMBL21563849 0.84 POLB (0.54) NT5EP2RY2POLBP2RY6
SCHEMBL26233440 0.82 GPR17 (0.43) P2RX3P2RX4P2RX7P2RX2P2RX1
SCHEMBL888156 0.81 POLB (0.48) P2RX3P2RX4P2RX7P2RX2P2RX1

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-117795096-A Methods, compositions and kits for preparing sequencing libraries 吉复生物科技有限公司 2024-03-29 CN disclosed