SCHEMBL2370165

SCHEMBL2370165

O=C1CCCc2c(Br)ccc(Cl)c21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
BRD4 O60885 8/20 0.40
DYRK1A Q13627 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRDT Q58F21 2/20 0.37
BRD9 Q9H8M2 2/20 0.37
BRD7 Q9NPI1 2/20 0.37
CREBBP Q92793 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SRC P12931 2/20 0.33
OPRM1 P35372 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
SCHEMBL31140091 0.89 KDM4E (0.56) KDM4EBRD4BRDTBRD9BRD7
SCHEMBL23832881 0.89 KDM4E (0.56) KDM4EBRD4BRDTBRD9BRD7
SCHEMBL19682389 0.85 BRD4 (0.40) KDM4EBRD4DYRK1AHSD17B10BRDT
SCHEMBL7103532 0.78 BRD4 (0.43) KDM4EBRD4DYRK1ABRDTBRD9
SCHEMBL31104321 0.78 BRD4 (0.40) KDM4EBRD4DYRK1ABRDTBRD9
SCHEMBL6686475 0.78 BRD4 (0.42) KDM4EBRD4DYRK1AHSD17B10BRDT
SCHEMBL796568 0.76 NISCH (0.38) ALDH1A1LMNAMAPT
SCHEMBL9457818 0.74 KDM4E (0.81) KDM4EBRD4ALDH1A1LMNAGAA
SCHEMBL7410003 0.74 ALDH1A1 (0.59) KDM4EBRD4ALDH1A1LMNAGAA
SCHEMBL9499775 0.73 KDM4E (0.47) KDM4EBRD4BRDTBRD9BRD7

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-2011107494-A1 NOVEL AROMATIC GLYCOSIDE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND THE USE THEREOF SANOFI (FR) 2011-09-09 WO disclosed