SCHEMBL4258846

SCHEMBL4258846

BrCc1ccc(C2(c3ccc(CBr)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
OPRK1 P41145 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TRPA1 O75762 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
POLB P06746 1/20 0.40
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
S100A4 P26447 1/20 0.34
PDK2 Q15119 6/20 0.33
MDM2 Q00987 2/20 0.33
APEX1 P27695 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL5492754 0.80 MEN1 (0.57) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL15283118 0.80 MEN1 (0.62) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL14353392 0.80 MEN1 (0.57) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL8984806 0.80 MAPT (0.57) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL5847284 0.78 PDK2 (0.42) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL30516188 0.78 MEN1 (0.71) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL14122566 0.78 MEN1 (0.71) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL3852074 0.78 ALDH1A1 (0.39) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL868671 0.77 MEN1 (0.53) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL19002162 0.77 MAPT (0.53) MEN1KMT2AKDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090206742-A1 ORGANIC LIGHT-EMITTING ELEMENT YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY 2009-08-20 US disclosed
US-20090206742-A1 ORGANIC LIGHT-EMITTING ELEMENT YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY 2009-08-20 US disclosed
US-20090206742-A1 ORGANIC LIGHT-EMITTING ELEMENT YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY 2009-08-20 US disclosed
EP-2091094-A2 Organic light-emitting element Yamagata Promotional Organization for Industrial Technology (JP) 2009-08-19 EP disclosed