SCHEMBL5344623

SCHEMBL5344623

O=C1c2ccc(Br)cc2OCC1(Br)Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
S100A4 P26447 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
PBRM1 Q86U86 1/20 0.37
CYP19A1 P11511 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
TDP2 O95551 1/20 0.37
AHR P35869 1/20 0.35
PTPRC P08575 1/20 0.34
METAP1 P53582 1/20 0.34
APP P05067 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL3456628 0.81 PBRM1 (0.40) CA1CA2CA4CA7CA9
SCHEMBL9136839 0.77 PKM (0.47) CYP19A1MAOB
SCHEMBL5318615 0.73 BACE1 (0.41) CA1CA2CA4CA7CA9
SCHEMBL8834065 0.72 HTR2A (0.47) S100A4HTR2AHTR2CPBRM1HTT
SCHEMBL9136416 0.71 CYP19A1 (0.32) CYP19A1LMNAMAOB
SCHEMBL9135853 0.71 MAOB (0.42) S100A4CYP19A1MAPTTDP1MAOB
SCHEMBL9135908 0.71 FABP6 (0.46) CA1CA2CA7CA9CYP19A1
SCHEMBL24697708 0.71 MGAT2 (0.44) HTR2AHTR2CPBRM1HTTTDP2
SCHEMBL1429041 0.71 MAOB (0.46) S100A4HTR2AHTR2CPBRM1CYP19A1
SCHEMBL2066249 0.68 MAOB (0.64) HTR2AHTR2CLMNAMAPTHTT

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-2007088450-A2 CHROMANE ANTAGONIST OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-08-09 WO disclosed