SCHEMBL6300640

SCHEMBL6300640

O=C1OC(=O)c2c1cccc2-c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 1/20 0.43
TYMS P04818 3/20 0.41
PTPRC P08575 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPK1 P28482 2/20 0.37
SLC6A3 Q01959 1/20 0.37
NPC1 O15118 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSP90AA1 P07900 2/20 0.36

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
SCHEMBL31416073 0.90 TDP1 (0.52) TSHRALDH1A1TDP1ALOX15TYMS
SCHEMBL308375 0.90 TDP1 (0.52) TSHRALDH1A1TDP1ALOX15TYMS
SCHEMBL30499372 0.82 ALOX15 (0.50) TDP1ALOX15TYMSNPC1MEN1
SCHEMBL29067257 0.82 ALOX15 (0.50) TDP1ALOX15TYMSNPC1MEN1
SCHEMBL542116 0.82 TDP1 (0.54) ALDH1A1TDP1ALOX15TYMSMAPK1
SCHEMBL6300642 0.81 MAOB (0.46) TSHRALDH1A1TDP1ALOX15TYMS
SCHEMBL31548711 0.79 TDP1 (0.60) TSHRALDH1A1TDP1ALOX15TYMS
SCHEMBL2087097 0.79 TDP1 (0.60) TSHRALDH1A1TDP1ALOX15TYMS
SCHEMBL16508001 0.77 ALOX15 (0.48) ALDH1A1TDP1ALOX15TYMSPTPRC
SCHEMBL29350552 0.77 ALOX15 (0.48) ALDH1A1TDP1ALOX15TYMSPTPRC

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-6903197-B2 Azoxy dyes and copper complexes thereof BASF AKTIENGESELLSCHAFT (DE) 2005-06-07 US disclosed
US-20040204570-A1 Azoxy dyes and copper complexes thereof BASF AKIENGESELLSCHAFT (DE) 2004-10-14 US disclosed
US-6727351-B1 COMPLEXING, COUPLING, AND DEACYLATION BASF AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
EP-1161499-B1 AZOXY DYES AND THEIR CU COMPLEXES BASF AG (DE) 2003-12-03 EP disclosed
EP-1161499-A1 AZOXY DYES AND THEIR CU COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 2001-12-12 EP disclosed
WO-2000055259-A1 AZOXY DYES AND THEIR CU COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 2000-09-21 WO disclosed