SCHEMBL10597939

SCHEMBL10597939

C[Si](C)(C)n1c(N)nc2[nH]cnc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ADORA2A P29274 3/20 0.32
ADORA2B P29275 3/20 0.32
PIK3CD O00329 1/20 0.32
ALPL P05186 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TMIGD3 P0DMS9 1/20 0.32
PDE4A P27815 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HIF1A Q16665 1/20 0.32
PARP1 P09874 1/20 0.32

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
Triaziquone SCHEMBL9644546 0.81
SCHEMBL20866 0.80 ATAD2 (0.41) PNPATAD2LMNACYP1A2MAPT
SCHEMBL2385669 0.78 PNP (0.34) PNPATAD2LMNACYP1A2MAPT
SCHEMBL8886026 0.78 PNP (0.35) PNPATAD2LMNACYP1A2MAPT
SCHEMBL3259641 0.78 PNP (0.35) PNPATAD2LMNACYP1A2MAPT
SCHEMBL6168437 0.77 PNP (0.34) PNPATAD2LMNACYP1A2MAPT
SCHEMBL20576 0.77 PNP (0.34) PNPATAD2LMNACYP1A2MAPT
SCHEMBL2051359 0.77 PNP (0.34) PNPATAD2LMNACYP1A2MAPT
SCHEMBL2983845 0.77 PNP (0.34) PNPATAD2LMNACYP1A2MAPT
SCHEMBL1843775 0.77 PNP (0.34) PNPATAD2LMNACYP1A2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0145739-B1 NOVEL ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1989-02-08 EP disclosed
EP-0274025-A2 Novel antiviral agents SRI INTERNATIONAL (US) 1988-07-13 EP disclosed
EP-0273169-A2 Novel antiviral agents SRI INTERNATIONAL (US) 1988-07-06 EP disclosed
EP-0272446-A1 Novel antiviral agents SRI INTERNATIONAL (US) 1988-06-29 EP disclosed
US-4323573-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-04-06 US disclosed