SCHEMBL13763555

SCHEMBL13763555

Cc1cc(S(=O)(=O)O)c(NC(=O)C(Br)CBr)cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.46
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ACP1 P24666 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
POLB P06746 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
CASP6 P55212 1/20 0.30
KMT2A Q03164 1/20 0.30
ELAVL1 Q15717 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL13763685 0.94 CASR (0.43) CASRCA1CA2ACP1GRIK1
SCHEMBL10480224 0.83 CASR (0.36) CASRCA1CA2GRIK1GRIK2
SCHEMBL11651758 0.83 CASR (0.46) CASRCA1CA2POLBCYP3A4
SCHEMBL7519334 0.81 CA1 (0.34) CASRCA1CA2GRIK1GRIK2
SCHEMBL12829324 0.80 ALDH1A1 (0.47) CASRACP1GRIK1GRIK2POLB
SCHEMBL12830031 0.80 CNR2 (0.42) CA1CA2CYP3A4CYP2C19ALDH1A1
SCHEMBL30967744 0.78 GRIK1 (0.43) CASRACP1GRIK1GRIK2ALDH1A1
SCHEMBL9342516 0.78 RAPGEF4 (0.41) CASRCA1CA2GRIK1GRIK2
SCHEMBL30967743 0.78 GRIK1 (0.43) CASRACP1GRIK1GRIK2ALDH1A1
SCHEMBL11649324 0.75 CASR (0.39) CASRMEN1KMT2A

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-2080833-A2 Method of printing cellulosic fibre materials without an additional fixing process step Huntsman Advanced Materials (Switzerland) GmbH (CH) 2009-07-22 EP disclosed