SCHEMBL3661678

SCHEMBL3661678

Cc1ccnc(Oc2cccc3ccccc23)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TP53 P04637 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPA1 O75762 1/20 0.41
OGG1 O15527 1/20 0.41
HSD17B10 Q99714 3/20 0.40
PGR P06401 1/20 0.40
GAA P10253 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPK1 P28482 1/20 0.40
PIN1 Q13526 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3661674 0.82 SIRT2 (0.47) SIRT2SIRT1SIRT3ALDH1A1KMT2A
SCHEMBL7512439 0.81 PARP10 (0.48) ALDH1A1KMT2AMEN1TRPA1MAPK1
SCHEMBL8568267 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL3667423 0.76 SIRT2 (0.36) SIRT2SIRT1SIRT3ALDH1A1KMT2A
SCHEMBL14353384 0.74 POLB (0.54) SIRT3KDM4ETDP1HSD17B10
SCHEMBL3661679 0.73 SIRT2 (0.49) SIRT2SIRT1SIRT3ALDH1A1KMT2A
Carbamic Acid SCHEMBL12079192 0.71 ALDH1A1 (0.58) SIRT2SIRT1SIRT3ALDH1A1KMT2A
SCHEMBL2784042 0.71 NR4A1 (0.51) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL1884690 0.70 TRPA1 (0.48) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL4642088 0.70 TSHR (0.50) ALDH1A1KMT2AMEN1TP53BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO disclosed