SCHEMBL6300642

SCHEMBL6300642

O=C1OC(=O)c2c1cccc2-c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
GABRP O00591 4/20 0.43
GABRD O14764 4/20 0.43
GABRA1 P14867 4/20 0.43
GABRB1 P18505 4/20 0.43
GABRG2 P18507 4/20 0.43
GABRB3 P28472 4/20 0.43
GABRA5 P31644 4/20 0.43
GABRA3 P34903 4/20 0.43
GABRA2 P47869 4/20 0.43
GABRB2 P47870 4/20 0.43
GABRA4 P48169 4/20 0.43
GABRE P78334 4/20 0.43
GABRA6 Q16445 4/20 0.43
GABRG1 Q8N1C3 4/20 0.43
GABRG3 Q99928 4/20 0.43
GABRQ Q9UN88 4/20 0.43
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 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
SCHEMBL6300640 0.81 TSHR (0.43) MAOBALOX15TDP1SMN1; SMN2CSNK2A1
SCHEMBL542116 0.79 TDP1 (0.54) ALOX15TDP1TYMSALDH1A1KDM4E
SCHEMBL31416073 0.78 TDP1 (0.52) MAOBALOX15TDP1SMN1; SMN2TSHR
SCHEMBL308375 0.78 TDP1 (0.52) MAOBALOX15TDP1SMN1; SMN2TSHR
SCHEMBL16508001 0.78 ALOX15 (0.48) ALOX15TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL29350552 0.78 ALOX15 (0.48) ALOX15TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL1689836 0.78 ALOX15 (0.48) ALOX15TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL2087097 0.76 TDP1 (0.60) MAOBALOX15TDP1SMN1; SMN2NPC1
SCHEMBL31548711 0.76 TDP1 (0.60) MAOBALOX15TDP1SMN1; SMN2NPC1
SCHEMBL29067257 0.76 ALOX15 (0.50) ALOX15TDP1SMN1; SMN2NPC1RAB9A

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 3 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