SCHEMBL6234430

SCHEMBL6234430

COc1nc2c([nH]1)c(=O)[nH]c(=O)n2CC(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.64
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
PDE1A P54750 3/20 0.42
PDE1B Q01064 3/20 0.42
PDE1C Q14123 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
PDE2A O00408 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SIRT1 Q96EB6 1/20 0.39

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 0.81 PDE2A (0.61) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL19583186 0.79 KDM4E (0.43) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL7007230 0.79 MEN1 (0.50) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL4796596 0.78 PDE1A (0.46) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL14889319 0.78 PDE5A (1.00) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL272517 0.77 KDM4E (0.41) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL2053839 0.76 PDE5A (0.42) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL4623653 0.75 PDE5A (0.43) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL2954176 0.74 ADORA1 (0.51) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL9646522 0.74 KDM4E (0.44) PDE5AMEN1KMT2APDE1APDE1B

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
US-20050244829-A1 Method of screening insulin resistance inproving drug ASTELLAS PHARMA INC. (JP) 2005-11-03 US disclosed
EP-1533368-A1 METHOD OF SCREENING INSULIN RESISTANCE IMPROVING DRUG YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-05-25 EP disclosed
US-5888811-A ISOLATED NUCLEIC ACIDS; GENETIC ENGINEERING DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-30 US disclosed