SCHEMBL7231973

SCHEMBL7231973

CCOCc1nc2c[n+]([O-])c3cccnc3c2n1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.40
TLR7 Q9NYK1 7/20 0.38
TLR8 Q9NR97 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
NUDT1 P36639 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL4160150 0.83 TLR7 (0.49) TLR7TLR8MEN1KMT2ATSHR
SCHEMBL5617306 0.81 TLR8 (0.35) TLR7TLR8MEN1KMT2ATP53
SCHEMBL3353822 0.80 AVPR1A (0.43) AVPR1ATLR7TLR8MEN1KMT2A
SCHEMBL2749843 0.80 MEN1 (0.36) TLR7TLR8MEN1KMT2ATSHR
SCHEMBL4313942 0.79 HTR5A (0.33) TLR8
SCHEMBL1457245 0.78 NPC1 (0.36) MAPTPOLB
SCHEMBL4155874 0.75 MAOA (0.34) TLR7TLR8MEN1KMT2ATSHR
SCHEMBL3355215 0.74 TLR7 (0.57) TLR7TLR8NUDT1
SCHEMBL7231032 0.74 TLR7 (0.42) TLR7TLR8MEN1KMT2ATP53
SCHEMBL7239269 0.73 TLR7 (0.44) AVPR1ATLR7TLR8NUDT1PDE4A

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-6624172-B2 Imidazonaphthyridine and tetrahydroimidazonaphthyridine compounds induce the biosynthesis of cytokines such as interferon and tumor necrosis factor, and useful as viricides and antitumor agents 3M INNOVATIVE PROPERTIES COMPANY 2003-09-23 US disclosed