SCHEMBL2300936

SCHEMBL2300936

CC(=O)Cc1cccc(-c2c[nH]c3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 2/20 0.52
SLC6A2 P23975 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PBRM1 Q86U86 1/20 0.44
GSK3B P49841 1/20 0.44
TDO2 P48775 8/20 0.44
NR4A2 P43354 1/20 0.43
IMPDH2 P12268 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CAMK2D Q13557 1/20 0.41

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
SCHEMBL7370732 0.81 ASH1L (0.55) ASH1LTDO2NR4A2IMPDH2MAPK1
SCHEMBL31370363 0.80 KMT2A (0.59) ASH1LMAPK1HSD17B10
SCHEMBL27613441 0.77 ASH1L (0.60) ASH1LTDO2NR4A2IMPDH2MAPK1
SCHEMBL7807902 0.76 BRD4 (0.54) ASH1L
SCHEMBL2003500 0.76 SLC22A6 (0.55) ASH1LPBRM1GSK3BTDO2NR4A2
SCHEMBL21997278 0.75 GRIA2 (0.50)
SCHEMBL3675588 0.74 ASH1L (0.74) ASH1LGSK3BTDO2NR4A2IMPDH2
SCHEMBL15214656 0.74 BCL2 (0.53) NR4A2
Propionic Acid SCHEMBL19133578 0.73 PRKCB (0.47) ASH1LNR4A2
SCHEMBL25043136 0.73 ASH1L (0.59) ASH1LTDO2NR4A2IMPDH2MAPK1

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-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed