SCHEMBL9079841

SCHEMBL9079841

NNc1ccc(CCc2ccc(NN)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.39
RAD51 Q06609 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
POLB P06746 3/20 0.36
GAA P10253 3/20 0.36

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
SCHEMBL9717209 0.79 RAPGEF4 (0.42) EGFRRAPGEF4CTDSP1CA12CA1
SCHEMBL14358811 0.78 EPHX2 (0.43) ALDH1A1KDM4ELMNAHPGD
SCHEMBL19465710 0.77 CTDSP1 (0.40) EGFRRAPGEF4CTDSP1CA12CA1
SCHEMBL14361824 0.77 ENPP2 (0.57) RAD51CA12CA1CA2CA9
SCHEMBL6427620 0.76 RAPGEF4 (0.50) RAPGEF4MAPTALDH1A1KDM4ETDP1
SCHEMBL29963180 0.76 RAPGEF4 (0.50) RAPGEF4MAPTALDH1A1KDM4ETDP1
SCHEMBL10692809 0.76 HTR6 (0.32) RAPGEF4RAD51CA12CA1CA2
SCHEMBL29899149 0.75 ENPP2 (0.59) RAPGEF4RAD51CTDSP1CA12CA1
SCHEMBL9080026 0.75 ENPP2 (0.59) RAPGEF4RAD51CTDSP1CA12CA1
SCHEMBL9080020 0.75 ENPP2 (0.59) RAPGEF4RAD51CTDSP1CA12CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543259-A TONER COMPOSITION FOR DEVELOPING ELECTROSTATIC IMAGES INCLUDING PARTICLES COMPRISING MIXTURE OF RESIN AND SPECIFIED AZO DYE COLORANT XEROX CORPORATION (US) 1996-08-06 US disclosed
US-5413630-A Colorant and ink compositions XEROX CORPORATION (US) 1995-05-09 US disclosed