SCHEMBL6681653

SCHEMBL6681653

N=C(OONC(=O)S)N(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MMP3 P08254 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
PTPN1 P18031 3/20 0.36
PLK1 P53350 1/20 0.36
MMP9 P14780 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
OGG1 O15527 1/20 0.35
POLB P06746 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PGR P06401 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL3069177 0.74 SIGMAR1 (0.48) SIGMAR1SMN1; SMN2KDM4EGAAMMP3
SCHEMBL3075681 0.74 KDM4E (0.55) SMN1; SMN2KDM4EGAANPC1RAB9A
SCHEMBL2431069 0.72 SIGMAR1 (0.55) SIGMAR1KDM4EGAAPTPN1ALDH1A1
SCHEMBL9547530 0.71 SIGMAR1 (0.51) SIGMAR1KDM4EGAAMMP3HDAC8
SCHEMBL9547596 0.70 SIGMAR1 (0.52) SIGMAR1SMN1; SMN2KDM4EGAAMMP3
SCHEMBL3077466 0.69 SIGMAR1 (0.53) SIGMAR1SMN1; SMN2KDM4EGAAMMP3
SCHEMBL17710565 0.69 SIGMAR1 (0.64) SIGMAR1NR4A1NR4A2NR4A3MMP9
SCHEMBL29145272 0.68 SIGMAR1 (0.49) SIGMAR1SMN1; SMN2KDM4EGAANR4A1
SCHEMBL29063359 0.68 KDM4E (0.46) SIGMAR1SMN1; SMN2KDM4EGAAMMP3
SCHEMBL6686362 0.68 KDM4E (0.45) KDM4EHDAC8NPC1RAB9AALDH1A1

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
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed