SCHEMBL4068203

SCHEMBL4068203

Cc1nc2c(CC(C)C)nc3cc(O)ccc3c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
USP2 O75604 1/20 0.36
TLR7 Q9NYK1 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 3/20 0.33
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33
GLA P06280 2/20 0.33
RAD52 P43351 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
DPP4 P27487 6/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 1/20 0.32
DHODH Q02127 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL4065218 0.85 ADORA1 (0.36) KDM4EHPGDHSD17B10USP2TLR7
SCHEMBL6737901 0.64 ELANE (0.40) KDM4ETLR7GAAGLADPP4
SCHEMBL6221678 0.64 DPP4 (0.40) KDM4EHPGDALDH1A1DPP4PDE3B
SCHEMBL8852871 0.63 DYRK1A (0.52) KDM4EHPGDHSD17B10ALDH1A1PDE3B
Hydrochloric Acid SCHEMBL10970517 0.61 MAOB (0.50) HPGDMAPTCYP2D6CYP2C9CYP2C19
SCHEMBL1405835 0.61 ALDH1A1 (0.47) KDM4EHPGDHSD17B10USP2ALDH1A1
SCHEMBL4530714 0.60 CYP1A2 (0.48) HSD17B10GAARAD52CYP1A2CYP2D6
SCHEMBL7133357 0.60 HTR2A (0.43) KDM4EHPGDHSD17B10USP2ESR1
SCHEMBL5032885 0.59 ELANE (0.43) TLR7DPP4ALOX15PARP1
SCHEMBL20314907 0.59 ESR2 (0.40) ALDH1A1ESR1

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-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 EP disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 WO disclosed