SCHEMBL3365752

SCHEMBL3365752

O=C(c1ccccc1Br)C(Br)Br

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GSK3B P49841 2/20 0.44
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL29758519 1.00 ELANE (0.46) ELANENPC1RAB9AGSK3BALDH1A1
SCHEMBL10671873 0.83 ELANE (0.43) ELANENPC1RAB9AALDH1A1MEN1
SCHEMBL11771242 0.83 ALDH1A1 (0.47) ELANENPC1RAB9AALDH1A1MEN1
SCHEMBL29035082 0.82 NPC1 (0.44) ELANENPC1RAB9AALDH1A1MEN1
SCHEMBL29573780 0.80 F2R (0.49) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2360603 0.80 F2R (0.49) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL11893584 0.79 PRNP (0.50) GSK3BALDH1A1MEN1KMT2ALMNA
SCHEMBL8445974 0.77 KDM4E (0.54) NPC1RAB9AGSK3BALDH1A1MEN1
SCHEMBL235265 0.76 CES2 (0.58) ELANEGSK3BALDH1A1MEN1KMT2A
SCHEMBL28629683 0.76 SLC6A2 (0.49) ELANENPC1RAB9AGSK3BALDH1A1

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed