SCHEMBL16243333

SCHEMBL16243333

CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](OCCC#N)[C@@H]2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.41
▸ STING1 Q86WV6 10/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAPGEF3 O95398 2/20 0.40
▸ GMNN O75496 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ AHCY P23526 1/20 0.40
▸ GAA P10253 1/20 0.38

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
SCHEMBL2404929 0.90 RXFP1 (0.44) RXFP1STING1LMNAKMT2ARAPGEF3
SCHEMBL5505121 0.90 RXFP1 (0.43) RXFP1STING1LMNAKMT2ARAPGEF3
SCHEMBL16242977 0.89 RXFP1 (0.42) RXFP1STING1LMNAKMT2ARAPGEF3
SCHEMBL13715840 0.85 — —
SCHEMBL2522409 0.85 ADORA3 (0.44) RXFP1STING1LMNAKMT2ARAPGEF3
SCHEMBL12212793 0.85 ADORA3 (0.44) RXFP1STING1LMNAKMT2ARAPGEF3
SCHEMBL26882824 0.83 STING1 (0.45) RXFP1STING1LMNAKMT2ARAPGEF3
SCHEMBL14946326 0.82 STING1 (0.46) RXFP1STING1LMNAKMT2ARAPGEF3
SCHEMBL16243526 0.82 DOT1L (0.39) AHCYGAA
SCHEMBL3952638 0.82 PDE4A (0.40) RXFP1STING1LMNANPSR1

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
US-20140350080-A1 INHIBITION OF VIRAL GENE EXPRESSION UNIVERSITY OF THE WITWATERSRAND, JOHANNESBURG (ZA) 2014-11-27 — — US disclosed
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