SCHEMBL4063897

SCHEMBL4063897

CCCc1nc2ccc(O)cc2c2[nH]c(COCC)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.34
PDE10A Q9Y233 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
ESRRB O95718 1/20 0.34
ESRRA P11474 1/20 0.34
GAA P10253 4/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK10 P53779 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PKM P14618 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
SCHEMBL4068804 0.72 PARP1 (0.41) ESR1ESR2ESRRBESRRAGAA
SCHEMBL4073451 0.68 TLR8 (0.31)
SCHEMBL4763415 0.67 TLR7 (0.49)
SCHEMBL23849455 0.64 TLR7 (0.49) ADORA3
SCHEMBL30256779 0.64 TLR7 (0.49) ADORA3
SCHEMBL4065218 0.64 ADORA1 (0.36) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL23421312 0.64 TLR8 (0.34)
SCHEMBL30583610 0.64 TLR7 (0.47)
SCHEMBL8576858 0.64 PARP1 (0.48) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23420474 0.63 TLR8 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 WO disclosed