SCHEMBL7519334

SCHEMBL7519334

Nc1cc(NC(=O)C(Br)CBr)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CASR P41180 4/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
RECQL P46063 2/20 0.31
CASP6 P55212 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NSD2 O96028 1/20 0.31
APEX1 P27695 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
CTDSP1 Q9GZU7 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
SCHEMBL10480224 0.94 CASR (0.36) CA1CA2CASRRAPGEF4KDM4E
SCHEMBL11651758 0.85 CASR (0.46) CA1CA2CASRKDM4EALDH1A1
SCHEMBL13763685 0.83 CASR (0.43) CA1CA2CASRKDM4EALDH1A1
SCHEMBL9342516 0.83 RAPGEF4 (0.41) CA1CA2CASRRAPGEF4KDM4E
SCHEMBL11649324 0.82 CASR (0.39) CASRMEN1KMT2A
SCHEMBL13763555 0.81 CASR (0.46) CA1CA2CASRKDM4EALDH1A1
SCHEMBL30967742 0.81 NPC1 (0.37) CA1CA2CASRRAPGEF4ALDH1A1
SCHEMBL1011939 0.81 NPC1 (0.37) CA1CA2CASRRAPGEF4ALDH1A1
SCHEMBL7731859 0.80 CTDSP1 (0.45) CA1CA2CASRRAPGEF4KDM4E
SCHEMBL30967744 0.78 GRIK1 (0.43) CASRRAPGEF4ALDH1A1GRIK1GRIK2

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-0699719-B1 Azodyes, process for their preparation and the use thereof CIBA SC HOLDING AG (CH) 2002-01-02 EP disclosed
US-5616695-A YELLOW DYES HAVING GOOD FASTNESS PROPERTIES CIBA-GEIGY CORPORATION (US) 1997-04-01 US disclosed
US-4033943-A Fiber reactive water soluble 2,4,6-triamino, 3-cyano pyridine-(5) azo dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed