SCHEMBL3977482

SCHEMBL3977482

CC(C)Cc1cccc2nc(N)c3nc(CCl)[nH]c3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.37
TLR8 Q9NR97 3/20 0.37
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
DHFR P00374 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ADORA2A P29274 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 1/20 0.32
ADRA1A P35348 1/20 0.32
NUDT1 P36639 1/20 0.32
HTR2B P41595 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNH2 Q12809 1/20 0.32
ELANE P08246 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
Hydrochloric Acid SCHEMBL9134401 0.99 TLR7 (0.36) TLR7TLR8KDM4EMAPTDHFR
SCHEMBL3862404 0.88 TLR8 (0.37) TLR7TLR8ADORA2AELANEADORA3
SCHEMBL4586839 0.86 TLR7 (0.38) TLR7TLR8DHFRADORA2AADORA3
SCHEMBL8322469 0.82 HTT (0.36) TLR7TLR8POLBELANE
SCHEMBL5507090 0.81 ELANE (0.33) TLR7TLR8MAPTELANE
SCHEMBL1692289 0.77 TLR7 (0.39) TLR7TLR8DHFRGABRA1GABRB2
SCHEMBL9388928 0.76 TLR8 (0.35) TLR7TLR8KCNH2ADORA3
SCHEMBL5276474 0.76 DCPS (0.40) TLR7TLR8DHFR
SCHEMBL11896983 0.75 TLR8 (0.36) TLR7TLR8KDM4EELANE
SCHEMBL18587595 0.74 TLR8 (0.46) TLR7TLR8DHFRADORA2AELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682544-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-05-06 EP disclosed
EP-1685129-A4 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-22 EP disclosed
EP-1685129-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-08-02 EP disclosed
EP-1682544-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-07-26 EP disclosed
WO-2005048933-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 WO disclosed
WO-2005048945-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 WO disclosed