SCHEMBL3376178

SCHEMBL3376178

C=C(Br)C(=O)Nc1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
TMPRSS6 Q8IU80 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
F13A1 P00488 1/20 0.32
LMNA P02545 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 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
SCHEMBL342425 0.80 RXFP1 (0.58) RXFP1ALDH1A1GAAL3MBTL1TDP1
SCHEMBL5464327 0.80 F2 (0.41) RXFP1ALDH1A1GAAMAPK1L3MBTL1
SCHEMBL10717657 0.79 SMN1; SMN2 (0.54) ALDH1A1MAPK1PTPN1PTPN11NPC1
SCHEMBL31598552 0.78 ALDH1A1 (0.57) RXFP1ALDH1A1GAAMAPK1L3MBTL1
SCHEMBL31598547 0.78 MEN1 (0.55) ALDH1A1PTPN11NPC1RAB9AF13A1
SCHEMBL3760047 0.77 PTPN11 (0.55) PTPN1PTPN11MEN1KMT2AGPR35
SCHEMBL9337050 0.76 MAPT (0.57) RXFP1ALDH1A1GAAMAPK1F2
SCHEMBL10718747 0.76 NPC1 (0.58) ALDH1A1L3MBTL1TDP1NPC1RAB9A
SCHEMBL10718594 0.76 NPC1 (0.53) ALDH1A1GAAMAPK1NPC1RAB9A
SCHEMBL31598537 0.76 ALDH1A1 (0.53) ALDH1A1GAAMAPK1PTPN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035507-B1 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR COLOURS DEUTSCHLAND GMB (DE) 2010-11-17 EP disclosed
CN-101473000-A Dye mixtures of fibre-reactive azo dyes, production and use thereof DYSTAR TEXTILFARBEN GMBH & CO (DE) 2009-07-01 CN disclosed
EP-2035507-A2 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-03-18 EP disclosed
WO-2007147774-A2 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-12-27 WO disclosed