SCHEMBL3379991

SCHEMBL3379991

C=C(Br)C(=O)Nc1cc[c]c(S(=O)(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
GPR35 Q9HC97 1/20 0.31
ENPP2 Q13822 1/20 0.31
NT5E P21589 1/20 0.30
TIMP3 P35625 1/20 0.30

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
SCHEMBL3914583 0.78 ENPP2 (0.49) ENPP2
SCHEMBL3374952 0.78 RXFP1 (0.30)
SCHEMBL3374771 0.76 LMNA (0.34)
SCHEMBL7723677 0.73 CTDSP1 (0.45) TDP1ENPP2NT5E
SCHEMBL7514937 0.73 NT5E (0.38) TDP1ENPP2NT5E
SCHEMBL3376178 0.72 RXFP1 (0.37) TDP1GPR35
SCHEMBL25286896 0.69 MEN1 (0.52) TDP1
SCHEMBL10351093 0.69 TIMP3 (0.30) TIMP3
SCHEMBL31598584 0.67 MEN1 (0.62)
SCHEMBL10575620 0.67 NT5E (0.70) ENPP2NT5E

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
EP-2035507-B1 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR COLOURS DEUTSCHLAND GMB (DE) 2010-11-17 EP 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