SCHEMBL18571697

SCHEMBL18571697

Cc1ccc(S(=O)OC[C@H]2O[C@@H](n3ccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncnc43)[C@@H]3OC(C)(C)O[C@@H]32)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ PRMT5 O14744 11/20 0.33
▸ WDR77 Q9BQA1 10/20 0.33
▸ HPGD P15428 1/20 0.32
▸ PDPK1 O15530 1/20 0.30
▸ METTL3 Q86U44 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
SCHEMBL23892484 1.00 P2RX1 (0.36) P2RX1P2RX3P2RX4RXFP1PI4KA
SCHEMBL25949205 0.86 RXFP1 (0.43) P2RX1P2RX3P2RX4RXFP1PI4KA
SCHEMBL18571701 0.86 RXFP1 (0.43) P2RX1P2RX3P2RX4RXFP1PI4KA
SCHEMBL18571700 0.85 PI4KA (0.47) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18571696 0.85 PI4KA (0.47) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL25949203 0.85 PI4KA (0.47) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL22002162 0.81 PRMT5 (0.37) RXFP1PRMT5WDR77PDPK1
SCHEMBL22002064 0.79 PRMT5 (0.35) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL18571905 0.77 PRMT5 (0.41) PRMT5WDR77METTL3
SCHEMBL25046560 0.77 ADK (0.41) P2RX1P2RX3P2RX4RXFP1PI4KA

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-2017032840-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — WO disclosed
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