SCHEMBL18314784

SCHEMBL18314784

CC1(C)OC2[C@@H](CNS(=O)(=O)NC(=O)[C@@H]3CC(=O)N3)O[C@@H](n3cnc4c(N)ncnc43)[C@H]2O1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.58
▸ PI4K2B Q8TCG2 1/20 0.58
▸ PI4K2A Q9BTU6 1/20 0.58
▸ PI4KB Q9UBF8 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.56
▸ P2RX1 P51575 1/20 0.50
▸ P2RX3 P56373 1/20 0.50
▸ P2RX4 Q99571 1/20 0.50
▸ HINT1 P49773 1/20 0.48
▸ AMD1 P17707 2/20 0.48
▸ EPRS1 P07814 2/20 0.46
▸ DNMT1 P26358 1/20 0.44

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
SCHEMBL18314786 0.92 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18314801 0.86 HINT1 (0.62) PI4KAPI4K2BPI4K2API4KBHINT1
SCHEMBL18314956 0.85 ADORA3 (0.50) HINT1EPRS1DNMT1
SCHEMBL18314858 0.81 PI4KA (0.70) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL30238879 0.81 RXFP1 (0.51) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18314805 0.81 POLB (0.48) HINT1EPRS1DNMT1
SCHEMBL7037167 0.79 RXFP1 (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL2291619 0.78 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18314780 0.78 HINT1 (0.60) HINT1EPRS1
SCHEMBL18314781 0.78 HINT1 (0.60) HINT1EPRS1

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-2016201374-A1 SULFANIDE ADENOSINE DERIVATIVES AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-12-15 — — WO disclosed
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