SCHEMBL6439609

SCHEMBL6439609

CCCCc1nc2ccccc2c2c1ncn2CCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TLR8 Q9NR97 4/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
HRH2 P25021 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
ADORA2A P29274 1/20 0.37
ADRA1A P35348 1/20 0.37
NUDT1 P36639 1/20 0.37
HTR2B P41595 1/20 0.37
PDE4D Q08499 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
DUT P33316 1/20 0.35

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
SCHEMBL5369590 0.84 TLR7 (0.58) TLR7TLR8LMNAPOLBHRH2
SCHEMBL4152431 0.77 POLB (0.45) LMNAPOLBSMN1; SMN2ALOX15TSHR
SCHEMBL9551426 0.75 TLR7 (0.47) TLR7TLR8PDE4D
SCHEMBL5350042 0.74 TLR7 (0.70) TLR7TLR8
SCHEMBL4152643 0.74 TLR7 (0.46) TLR7TLR8LMNAPDE4DSMN1; SMN2
SCHEMBL2895254 0.71 TLR7 (0.68) TLR7TLR8
SCHEMBL22803635 0.71 TLR7 (0.65) TLR7TLR8LMNAPOLBHRH2
SCHEMBL2888314 0.71 TLR7 (0.46) TLR7TLR8LMNAPDE4DSMN1; SMN2
SCHEMBL10734409 0.70 TLR7 (0.46) TLR7NPC1RAB9ATLR8KDM4E
SCHEMBL10587197 0.70 TLR7 (0.45) TLR7NPC1RAB9ATLR8KDM4E

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
EP-1541572-A1 Thioether substituted imidazoquinolines 3M Innovative Properties Company (US) 2005-06-15 EP disclosed