SCHEMBL7723677

SCHEMBL7723677

C=C(Br)C(=O)Nc1ccc(N)c(S(=O)(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.45
ENPP2 Q13822 2/20 0.39
NT5E P21589 2/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
CASR P41180 1/20 0.34
CDC25B P30305 1/20 0.34
GAA P10253 3/20 0.34
CASP6 P55212 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ELAVL1 Q15717 1/20 0.34
AR P10275 1/20 0.33
NSD2 O96028 1/20 0.33

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
SCHEMBL7514937 0.88 NT5E (0.38) CTDSP1ENPP2NT5ERAPGEF4CASR
SCHEMBL8491542 0.83 GPR35 (0.49) CTDSP1ENPP2RAPGEF4CASRCDC25B
SCHEMBL10487505 0.81 ENPP2 (0.55) CTDSP1ENPP2RAPGEF4CASRALDH1A1
SCHEMBL11911305 0.80 NT5E (0.52) CTDSP1ENPP2NT5ERAPGEF4CDC25B
SCHEMBL10480106 0.79 RAPGEF4 (0.36) CTDSP1NT5ERAPGEF4CASRGAA
SCHEMBL7512999 0.79 RAPGEF4 (0.36) CTDSP1NT5ERAPGEF4GAACASP6
SCHEMBL66550 0.78 ENPP2 (0.60) CTDSP1ENPP2ALDH1A1MAPTTDP1
SCHEMBL11416133 0.78 GSTO1 (0.52) CTDSP1ENPP2GSTO1
SCHEMBL7731859 0.76 CTDSP1 (0.45) CTDSP1ENPP2NT5ERAPGEF4CASR
SCHEMBL9503206 0.76 CTDSP1 (0.56) CTDSP1ENPP2NT5ERAPGEF4CDC25B

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
US-6407220-B1 FOR DYEING AND PRINTING OF MATERIALS CONTAINING CELLULOSE FIBERS; HIGH FIXATION AND GOOD BUILD-UP EVERLIGHT USA, INC. 2002-06-18 US disclosed
EP-0969051-A1 Mixtures of reactive dyes and their utilisation Ciba SC Holding AG (CH) 2000-01-05 EP disclosed
US-4046507-A COMMERCIAL PACKAGES CONTAINING DYESTUFFS CIBA-GEIGY AG (CH) 1977-09-06 US disclosed