SCHEMBL25949205

SCHEMBL25949205

Cc1ccc(S(=O)(=O)OCC2O[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]23)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.43
▸ P2RX1 P51575 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34
▸ 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 7/20 0.33
▸ WDR77 Q9BQA1 7/20 0.33
▸ GPR119 Q8TDV5 3/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.31
▸ UBA6 A0AVT1 1/20 0.31
▸ HPGD P15428 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
SCHEMBL18571701 1.00 RXFP1 (0.43) RXFP1P2RX1P2RX3P2RX4PI4KA
SCHEMBL18572103 0.89 RXFP1 (0.54) RXFP1P2RX1P2RX3P2RX4PI4KA
SCHEMBL18571944 0.87 RXFP1 (0.39) RXFP1P2RX1P2RX3P2RX4GPR119
SCHEMBL23892484 0.86 P2RX1 (0.36) RXFP1P2RX1P2RX3P2RX4PI4KA
SCHEMBL18571697 0.86 P2RX1 (0.36) RXFP1P2RX1P2RX3P2RX4PI4KA
SCHEMBL25949203 0.85 PI4KA (0.47) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18571700 0.85 PI4KA (0.47) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18571696 0.85 PI4KA (0.47) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL22683096 0.82 RXFP1 (0.49) RXFP1P2RX1P2RX3P2RX4PI4KA
SCHEMBL18572012 0.82 RXFP1 (0.49) RXFP1P2RX1P2RX3P2RX4PI4KA

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-4219496-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 — — EP disclosed
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