SCHEMBL5500231

SCHEMBL5500231

O=CCc1ccc(CCBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
GFER P55789 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL6364651 0.81 MAOB (0.40) TDP1MEN1KMT2ATHRB
SCHEMBL2281085 0.81 TDP1 (0.71) TDP1MEN1KMT2AHTR2ATAAR1
SCHEMBL4628332 0.79 TRPA1 (0.46)
SCHEMBL6554880 0.78 ALDH1A1 (0.48) TDP1MEN1KMT2A
SCHEMBL377782 0.78 TDP1 (0.48) TDP1MEN1KMT2A
SCHEMBL30932186 0.78 TDP1 (0.67) TDP1MEN1KMT2AHTR2ATAAR1
SCHEMBL6756868 0.78 TDP1 (0.48) TDP1MEN1KMT2ATAAR1
SCHEMBL24197114 0.75 CA2 (0.54) TDP1ESR1ESR2
SCHEMBL13269343 0.75 TAAR1 (0.52) TDP1KMT2AHTR2ATAAR1
SCHEMBL22265145 0.75 MAOB (0.52) TDP1HTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558747-A4 GLYCOPROTEIN SYNTHESIS SCRIPPS RESEARCH INST (US) 2007-07-18 EP disclosed
EP-1583816-A4 PROTEIN ARRAYS SCRIPPS RESEARCH INST (US) 2007-06-13 EP disclosed
EP-1578949-A4 SITE SPECIFIC INCORPORATION OF KETO AMINO ACIDS INTO PROTEINS SCRIPPS RESEARCH INST (US) 2006-12-20 EP disclosed
EP-1578949-A3 SITE SPECIFIC INCORPORATION OF KETO AMINO ACIDS INTO PROTEINS The Scripps Research Institute (US) 2005-11-10 EP disclosed
EP-1583816-A2 PROTEIN ARRAYS The Scripps Research Institute (US) 2005-10-12 EP disclosed
EP-1578949-A2 SITE SPECIFIC INCORPORATION OF KETO AMINO ACIDS INTO PROTEINS The Scripps Research Institute (US) 2005-09-28 EP disclosed
EP-1558747-A2 GLYCOPROTEIN SYNTHESIS The Scripps Research Institute (US) 2005-08-03 EP disclosed
WO-2004058946-A2 PROTEIN ARRAYS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-07-15 WO disclosed
WO-2004035743-A2 SITE SPECIFIC INCORPORATION OF KETO AMINO ACIDS INTO PROTEINS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-04-29 WO disclosed
WO-2004035605-A2 GLYCOPROTEIN SYNTHESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-04-29 WO disclosed