SCHEMBL4080312

SCHEMBL4080312

O=[C]C(OCBr)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TRPA1 O75762 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTR2A P28223 3/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CYP2D6 P10635 3/20 0.32
SCN1A P35498 3/20 0.32
SCN2A Q99250 3/20 0.32
SCN3A Q9NY46 3/20 0.32
CYP1A2 P05177 2/20 0.32
LMNA P02545 2/20 0.32
HRH1 P35367 2/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32

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
SCHEMBL7116849 0.82 HTR2A (0.33) SMN1; SMN2KMT2AMEN1HTR2ATAAR1
SCHEMBL4085556 0.80 HTR2A (0.32) SMN1; SMN2KMT2AMEN1HTR2ATAAR1
SCHEMBL4080545 0.80 HTR2A (0.32) SMN1; SMN2KMT2AMEN1HTR2ATAAR1
SCHEMBL4775948 0.80 TRPA1 (0.47) TRPA1SMN1; SMN2KMT2AMEN1HTR2A
SCHEMBL9165581 0.80 L3MBTL1 (0.43) SMN1; SMN2KMT2AMEN1HTR2ACYP2D6
SCHEMBL8536881 0.80 L3MBTL1 (0.43) SMN1; SMN2KMT2AMEN1HTR2ACYP2D6
SCHEMBL9165582 0.80 L3MBTL1 (0.43) SMN1; SMN2KMT2AMEN1HTR2ACYP2D6
SCHEMBL2673956 0.80 SLC6A2 (0.45) SMN1; SMN2KMT2AMEN1CYP2D6CYP1A2
SCHEMBL28938736 0.77 ALDH1A1 (0.39) TRPA1SMN1; SMN2HTR2ACYP2D6SCN1A
SCHEMBL4602744 0.77 NPSR1 (0.40) SMN1; SMN2KMT2AMEN1TAAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US claimed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO claimed
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
WO-2007134127-A3 AGENTS FOR IMAGING APOPTOSIS UNIV TEXAS (US) 2008-01-17 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed