SCHEMBL9770337

SCHEMBL9770337

Cc1ccccc1-c1cc(Br)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.48
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
S100A4 P26447 1/20 0.40
PTGES O14684 1/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ACHE P22303 1/20 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
SCHEMBL13069277 0.87 PTPRC (0.47) PTPRCALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12476663 0.83 PTPRC (0.47) PTPRCALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30208203 0.82 PTPRC (0.56) PTPRCALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29145893 0.82 PTPRC (0.56) PTPRCALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13319611 0.80 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL3563744 0.80 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL28453298 0.79 S100A4 (0.57) PTPRCALDH1A1TSHRS100A4MAPK1
SCHEMBL277458 0.78 BIRC5 (0.43) PTPRCALDH1A1MAOAMAOBS100A4
SCHEMBL16453890 0.78 BIRC5 (0.43) PTPRCALDH1A1MAOAMAOBS100A4
SCHEMBL15605306 0.77 PTPRC (0.39) PTPRCALDH1A1NPC1RAB9ASMN1; SMN2

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
US-5001220-A Pyrazolone substituted copolyarylene sulfide BAYER AG (DE) 1991-03-19 US disclosed