SCHEMBL5312401

SCHEMBL5312401

COc1ccc(-c2cn(C(=O)c3cccc4ccccc34)c3ncccc23)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 2/20 0.43
AKR1C2 P52895 1/20 0.43
MAPT P10636 1/20 0.43
NR1D1 P20393 1/20 0.42
SYK P43405 1/20 0.42
POLB P06746 1/20 0.42
SLC22A12 Q96S37 1/20 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
SCHEMBL4342924 0.92 ELANE (0.49) ELANEALDH1A1KDM4EHTTSYK
SCHEMBL13666656 0.91 MAPT (0.46) ELANEALDH1A1KDM4EKMT2AMEN1
SCHEMBL4342344 0.91 ELANE (0.47) ELANEALDH1A1KDM4EKMT2AMEN1
SCHEMBL4333003 0.91 ELANE (0.46) ELANEALDH1A1KDM4EKMT2AMEN1
SCHEMBL4329666 0.87 ELANE (0.46) ELANEALDH1A1KMT2AHTTSYK
SCHEMBL4335402 0.87 KMT2A (0.45) ELANEALDH1A1KDM4EKMT2AMEN1
SCHEMBL13666654 0.87 HTT (0.50) ELANEALDH1A1KDM4EKMT2AMEN1
SCHEMBL5313649 0.86 LMNA (0.43) ELANEKDM4EKMT2AMEN1HTT
SCHEMBL4338254 0.86 ELANE (0.43) ELANEALDH1A1KDM4EKMT2AMEN1
SCHEMBL4341800 0.86 ELANE (0.43) ELANEALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
EP-1786813-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2007-05-23 EP disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 WO disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 WO disclosed