SCHEMBL3661679

SCHEMBL3661679

Cc1ccc(C(N)=O)c(Oc2cccc3ccccc23)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
PARP1 P09874 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 2/20 0.42
PGR P06401 1/20 0.42
PTGS1 P23219 1/20 0.42
MAPK1 P28482 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
F10 P00742 1/20 0.41
KDM4E B2RXH2 3/20 0.41
CD38 P28907 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL28578209 0.77 KMT2A (0.61) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL30530111 0.74 MAPK14 (0.42) PARP1
SCHEMBL29903108 0.74 NNMT (0.54) SIRT3PARP1MEN1KMT2AALDH1A1
SCHEMBL5013567 0.74 NNMT (0.54) SIRT3PARP1MEN1KMT2AALDH1A1
Carbamic Acid SCHEMBL12079192 0.73 ALDH1A1 (0.58) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL3661678 0.73 SIRT2 (0.47) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL7673688 0.72 ESRRA (0.46) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL14399025 0.71 MAPT (0.49) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL3661674 0.70 SIRT2 (0.47) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL27256638 0.69 KMT2A (0.60) SIRT2SIRT1SIRT3MEN1KMT2A

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