SCHEMBL9809130

SCHEMBL9809130

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
GAA P10253 2/20 0.37
RECQL P46063 2/20 0.37
CASP6 P55212 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NSD2 O96028 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ELAVL1 Q15717 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL10772754 0.82 POLB (0.47) ALDH1A1MAPTPOLBGAACASP6
SCHEMBL10600156 0.78 CCR2 (0.41) APEX1ALDH1A1KDM4EMAPTPOLB
SCHEMBL9809133 0.78 APEX1 (0.42) APEX1ALDH1A1KDM4EMAPTPOLB
SCHEMBL9711529 0.78 RAPGEF4 (0.58) APEX1ALDH1A1KDM4EMAPTPOLB
SCHEMBL10691724 0.77 APEX1 (0.39) APEX1ALDH1A1KDM4EMAPTPOLB
SCHEMBL9878782 0.75 RAPGEF4 (0.41) APEX1ALDH1A1KDM4EMAPTPOLB
SCHEMBL10900096 0.75 CA2 (0.40) APEX1ALDH1A1KDM4EMAPTPOLB
SCHEMBL9809126 0.74 RECQL (0.40) APEX1ALDH1A1KDM4EMAPTPOLB
SCHEMBL10595422 0.74 CA2 (0.40) APEX1ALDH1A1KDM4EMAPTPOLB
SCHEMBL10633547 0.72 KDM4E (0.41) APEX1ALDH1A1KDM4EMAPTPOLB

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
EP-0199056-B1 PROCESS FOR THE MANUFACTURE OF TRIPHENODIOXAZINES BAYER AG (DE) 1991-05-22 EP disclosed
EP-0199056-A2 Process for the manufacture of triphenodioxazines BAYER AG (DE) 1986-10-29 EP disclosed