SCHEMBL2018265

SCHEMBL2018265

CC(=O)c1n[nH]c2[c]cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
YTHDC1 Q96MU7 1/20 0.38
STAT3 P40763 1/20 0.38
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTT P42858 3/20 0.33
FLT3 P36888 2/20 0.33
ALDH1A1 P00352 2/20 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
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
MAPT P10636 1/20 0.33
CCNA2 P20248 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
SCHEMBL6072406 0.85 KDM4E (0.36) KDM4EYTHDC1STAT3HIF1ASMN1; SMN2
SCHEMBL2016070 0.75 KDM4E (0.41) KDM4EYTHDC1STAT3HIF1ASMN1; SMN2
SCHEMBL135237 0.74 CYP1A2 (0.39) CYP1A2
SCHEMBL217086 0.73 KDM4E (0.67) KDM4EYTHDC1STAT3HIF1ASMN1; SMN2
SCHEMBL29781840 0.73 KDM4E (0.67) KDM4EYTHDC1STAT3HIF1ASMN1; SMN2
SCHEMBL2564745 0.72 PDPK1 (0.47) KDM4EKMT2APOLBFLT3ALDH1A1
SCHEMBL30319401 0.71 KDM4E (0.63) KDM4ESMN1; SMN2KMT2APOLBCYP1A2
SCHEMBL16095474 0.71
SCHEMBL13995824 0.71 KDM4E (0.63) KDM4ESMN1; SMN2KMT2APOLBCYP1A2
SCHEMBL2013950 0.69 KDM4E (0.41) KDM4EYTHDC1STAT3HIF1ASMN1; SMN2

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 claimed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO claimed