SCHEMBL3661674

SCHEMBL3661674

Cc1nccc(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
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
OGG1 O15527 1/20 0.41
HSD17B10 Q99714 2/20 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
AURKA O14965 3/20 0.40
MET P08581 3/20 0.40
KDR P35968 3/20 0.40
TEK Q02763 3/20 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
SCHEMBL3661678 0.82 SIRT2 (0.47) SIRT2SIRT1SIRT3ALDH1A1KDM4E
SCHEMBL7512451 0.81 PARP10 (0.48) ALDH1A1KDM4EMEN1KMT2AGAA
Carbamic Acid SCHEMBL12079192 0.75 ALDH1A1 (0.58) SIRT2SIRT1SIRT3ALDH1A1KDM4E
SCHEMBL7020144 0.74 KDM4E (0.47) KDM4ETDP1HSD17B10GAAMAPK1
SCHEMBL27944963 0.72 PARP10 (0.46) ALDH1A1TDP1MEN1KMT2AAURKA
SCHEMBL28578209 0.72 KMT2A (0.61) SIRT2SIRT1SIRT3ALDH1A1KDM4E
SCHEMBL3661679 0.70 SIRT2 (0.49) SIRT2SIRT1SIRT3ALDH1A1KDM4E
SCHEMBL16487053 0.70 FYN (0.47) ALDH1A1HSD17B10GAAMAPTMAPK8
Sulfuric Acid SCHEMBL30659034 0.69 ALDH1A1 (0.50) SIRT2SIRT1SIRT3ALDH1A1KDM4E
Sulfuric Acid SCHEMBL1995909 0.69 ALDH1A1 (0.50) SIRT2SIRT1SIRT3ALDH1A1KDM4E

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