SCHEMBL2016070

SCHEMBL2016070

CC(=O)c1n[nH]c2ccc[c]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
YTHDC1 Q96MU7 1/20 0.41
STAT3 P40763 1/20 0.41
HIF1A Q16665 1/20 0.41
FLT3 P36888 6/20 0.36
CDK2 P24941 2/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CTNNB1 P35222 3/20 0.35
WNT3A P56704 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.34
MAP4K1 Q92918 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33

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
SCHEMBL10468362 0.75 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2018265 0.75 KDM4E (0.38) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL374642 0.73 KDM4E (0.32) KDM4EALDH1A1IDO1
SCHEMBL136316 0.73 CYP1A2 (0.43) KDM4EALDH1A1IDO1
SCHEMBL217086 0.72 KDM4E (0.67) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL29781840 0.72 KDM4E (0.67) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL16097568 0.70 KDM4E (0.31) KDM4EIDO1
SCHEMBL1947333 0.69 PDPK1 (0.50) KDM4EFLT3CDK2CSNK2A1
SCHEMBL2301862 0.69 CNR1 (0.40) KDM4ESTAT3HIF1AALDH1A1
SCHEMBL15330376 0.69

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-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO disclosed