SCHEMBL9711529

SCHEMBL9711529

CC(N)Nc1ccc(N)cc1S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.58
ALDH1A1 P00352 7/20 0.56
TDP1 Q9NUW8 4/20 0.56
RECQL P46063 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 2/20 0.56
POLB P06746 2/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
CASP6 P55212 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ELAVL1 Q15717 1/20 0.56
NSD2 O96028 1/20 0.55
APEX1 P27695 1/20 0.55
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
HSD17B10 Q99714 5/20 0.48
NT5E P21589 3/20 0.48
GNG2 P59768 3/20 0.38

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
SCHEMBL9711561 0.87 RAPGEF4 (0.58) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL9878782 0.84 RAPGEF4 (0.41) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL1716442 0.80 RAPGEF4 (0.54) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL343355 0.80 RAPGEF4 (0.65) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL9627720 0.79 RAPGEF4 (0.80) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL9809130 0.78 APEX1 (0.41) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
Hydrochloric Acid SCHEMBL27969718 0.76 RAPGEF4 (0.65) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL10600156 0.76 CCR2 (0.41) ALDH1A1TDP1RECQLL3MBTL1KDM4E
SCHEMBL3830815 0.75 RAPGEF4 (0.59) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL9083398 0.75 RAPGEF4 (0.59) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1

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-0311893-B1 PROCESS FOR THE PREPARATION OF 2,5-BIS-(AMINOARYLAMINO)BENZOQUINONES BAYER AG (DE) 1992-12-30 EP disclosed