SCHEMBL1712890

SCHEMBL1712890

Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2I)cc1S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP2 Q9HC62 10/20 0.58
SENP1 Q9P0U3 8/20 0.58
SENP3 Q9H4L4 7/20 0.58
SUMO2 P61956 6/20 0.58
SUMO1 P63165 6/20 0.58
SENP7 Q9BQF6 6/20 0.58
HSD17B10 Q99714 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PHLPP2 Q6ZVD8 2/20 0.48
ENPP2 Q13822 1/20 0.44
ATIC P31939 2/20 0.41
GLO1 Q04760 3/20 0.40
PTPRC P08575 1/20 0.40
ALOX15 P16050 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN7 P35236 1/20 0.40
PTPN11 Q06124 1/20 0.40
PTPRJ Q12913 1/20 0.40

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
SCHEMBL110923 0.83 SENP2 (0.60) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL31099405 0.83 SENP2 (0.60) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL110924 0.83 SENP2 (0.60) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL1436156 0.83 SENP2 (0.60) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL8969844 0.82 SENP2 (0.59) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL1436155 0.82 SENP2 (0.59) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL9094885 0.79 SENP2 (0.63) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL9094890 0.79 SENP2 (0.63) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL7712980 0.77 SENP2 (0.53) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL7712976 0.77 SENP2 (0.53) SENP2SENP1SENP3SUMO2SUMO1

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-2344531-A1 MODIFIED VARIANT BOWMAN BIRK PROTEASE INHIBITORS Danisco US Inc. (US) 2011-07-20 EP disclosed
WO-2010044786-A1 MODIFIED VARIANT BOWMAN BIRK PROTEASE INHIBITORS DANISCO US INC., GENENCOR DIVISION (US) 2010-04-22 WO disclosed