SCHEMBL19302804

SCHEMBL19302804

CC(C)(C)OC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.59
▸ PI4KA P42356 1/20 0.50
▸ PI4K2B Q8TCG2 1/20 0.50
▸ PI4K2A Q9BTU6 1/20 0.50
▸ PI4KB Q9UBF8 1/20 0.50
▸ P2RX1 P51575 1/20 0.49
▸ P2RX3 P56373 1/20 0.49
▸ P2RX4 Q99571 1/20 0.49
▸ UBA6 A0AVT1 1/20 0.44
▸ ATG7 O95352 1/20 0.44
▸ UBA7 P41226 1/20 0.44
▸ NAE1 Q13564 1/20 0.44
▸ UBA3 Q8TBC4 1/20 0.44
▸ SAE1 Q9UBE0 1/20 0.44
▸ DOT1L Q8TEK3 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.42
▸ ADORA1 P30542 2/20 0.42

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
SCHEMBL20699831 0.91 RXFP1 (0.52) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL19302803 0.90 RXFP1 (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL4896950 0.89 PI4KA (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12379190 0.89 PI4KA (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL24450929 0.89 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL29695854 0.89 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18571809 0.88 PI4KA (0.62) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20699834 0.88 PI4KA (0.62) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18069462 0.88 PI4KA (0.52) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12379237 0.88 PI4KA (0.62) RXFP1PI4KAPI4K2BPI4K2API4KB

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-2017059411-A9 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-08-31 — — WO disclosed
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