SCHEMBL3377417

SCHEMBL3377417

O=C(Nc1c[c]c(S(=O)(=O)O)cc1)C(Br)CBr

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
PTPN1 P18031 3/20 0.32
PTPN6 P29350 3/20 0.32
PTPN11 Q06124 3/20 0.32
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL3374771 0.80 LMNA (0.34) ALDH1A1KMT2ACA1CA2
SCHEMBL3374952 0.75 RXFP1 (0.30)
SCHEMBL6592103 0.74 CA1 (0.46) ALDH1A1KMT2ACA1CA2CA7
SCHEMBL1011939 0.72 NPC1 (0.37) ALDH1A1KMT2ACA1CA2CA7
SCHEMBL30967743 0.72 GRIK1 (0.43) ALDH1A1KMT2AMEN1
SCHEMBL30967744 0.72 GRIK1 (0.43) ALDH1A1KMT2AMEN1
SCHEMBL30967742 0.72 NPC1 (0.37) ALDH1A1KMT2ACA1CA2CA7
SCHEMBL7731859 0.71 CTDSP1 (0.45) ALDH1A1KMT2ACA1CA2CA7
SCHEMBL12829324 0.71 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL12830031 0.71 CNR2 (0.42) ALDH1A1KMT2ACA1CA2CA12

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