SCHEMBL2053839

SCHEMBL2053839

CC(C)Cn1c(=O)[nH]c(=O)c2[nH]c(S(C)(=O)=O)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
PDE1A P54750 3/20 0.40
PDE1B Q01064 3/20 0.40
PDE1C Q14123 3/20 0.40
PDE2A O00408 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ADORA2A P29274 3/20 0.38
ADORA2B P29275 3/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
ADORA1 P30542 1/20 0.37

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
SCHEMBL5646 0.80 PDE2A (0.61) PDE5AKDM4EALDH1A1HPGDPDE1A
SCHEMBL19583186 0.78 KDM4E (0.43) PDE5AKDM4EALDH1A1HPGDPDE1A
SCHEMBL4796596 0.77 PDE1A (0.46) PDE5AKDM4EALDH1A1HPGDPDE1A
SCHEMBL6234430 0.76 PDE5A (0.64) PDE5AKDM4EALDH1A1HPGDPDE1A
SCHEMBL272517 0.76 KDM4E (0.41) PDE5AKDM4EALDH1A1HPGDPDE1A
SCHEMBL4623653 0.74 PDE5A (0.43) PDE5AKDM4EALDH1A1HPGDPDE1A
SCHEMBL2954176 0.73 ADORA1 (0.51) PDE5AKDM4EALDH1A1HPGDPDE1A
SCHEMBL9646522 0.73 KDM4E (0.44) PDE5AKDM4EALDH1A1HPGDPDE1A
SCHEMBL7007230 0.72 MEN1 (0.50) PDE5AKDM4EALDH1A1HPGDPDE1A
SCHEMBL3110928 0.71 PNP (0.48) PDE5AKDM4EALDH1A1HPGDPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2726603-A1 BROWN FAT CELL COMPOSITIONS AND METHODS Biorestorative Therapies, Inc. (US) 2014-05-07 EP disclosed
WO-2013003595-A1 BROWN FAT CELL COMPOSITIONS AND METHODS BIORESTORATIVE THERAPIES, INC. (US) 2013-01-03 WO disclosed
EP-2509992-A2 TREATMENTS FOR GASTROINTESTINAL DISORDERS Ironwood Pharmaceuticals, Inc. (US) 2012-10-17 EP disclosed
WO-2011071927-A2 TREATMENTS FOR GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-16 WO disclosed
WO-2004069172-A2 MULTILINEAGE-INDUCIBLE CELLS AND USES THEREOF The Government of the United States of America as represented by the Department of Veterans Affairs (US) 2004-08-19 WO disclosed
EP-0894133-A2 NEUROPEPTIDE Y RECEPTOR Y5 AND NUCLEIC ACID SEQUENCE Bayer Corporation (US) 1999-02-03 EP disclosed
WO-1997037998-A2 NEUROPEPTIDE Y RECEPTOR Y5 AND NUCLEIC ACID SEQUENCE BAYER CORPORATION (US) 1997-10-16 WO disclosed