SCHEMBL4244397

SCHEMBL4244397

CCCCN(C(=O)O)c1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.48
NCF1 P14598 1/20 0.47
PDE10A Q9Y233 1/20 0.47
MGAM O43451 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL5807953 0.87 PDE10A (0.52) ELANENCF1PDE10AALDH1A1GAA
SCHEMBL15886634 0.78 NCF1 (0.56) ELANENCF1HDAC3HDAC4HDAC1
SCHEMBL25488411 0.78 NCF1 (0.56) ELANENCF1KDM4EALDH1A1MAPK1
SCHEMBL5509028 0.77 POLB (0.55) ALDH1A1GAATSHROPRM1MEN1
SCHEMBL28956873 0.77 NCF1 (0.51) ELANENCF1PDE10AMGAMHDAC8
SCHEMBL28095708 0.76 NCF1 (0.41) NCF1MGAMHDAC3HDAC4HDAC1
SCHEMBL28095710 0.76 NCF1 (0.41) NCF1MGAMHDAC3HDAC4HDAC1
SCHEMBL4783071 0.74 NCF1 (0.61) NCF1MGAMKDM4EALDH1A1OPRM1
SCHEMBL28095699 0.74 NCF1 (0.41) NCF1MGAMHDAC3HDAC4HDAC1
SCHEMBL28095700 0.74 NCF1 (0.41) NCF1MGAMHDAC3HDAC4HDAC1

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