SCHEMBL3982909

SCHEMBL3982909

Cc1ccc(C)n1-c1ccccc1Br

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
MYC P01106 8/20 0.48
NR4A1 P22736 2/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MGLL Q99685 1/20 0.43
HCAR1 Q9BXC0 1/20 0.42
PDE7A Q13946 3/20 0.41
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL19469834 0.82 KDM4E (0.47) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL13170405 0.75 KDM4E (0.60) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL20600365 0.72 GAA (0.38) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL2976296 0.71 KDM4E (1.00) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL13893345 0.71 KDM4E (0.56) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL2354485 0.71 KDM4E (0.56) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL31198223 0.70 BCHE (0.41) KDM4EGAAMEN1KMT2ATP53
SCHEMBL12727350 0.70 MYC (0.56) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL4882091 0.70 MYC (0.54) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL782631 0.70 ALDH1A1 (0.50) KDM4EGSK3AGSK3BALDH1A1MGLL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed