SCHEMBL13825980

SCHEMBL13825980

O=S(=O)(O)c1cnc(S(=O)(=O)O)nc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
NAPRT Q6XQN6 1/20 0.41
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.37
NT5E P21589 1/20 0.37
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
ING2 Q9H160 1/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL1156714 0.79 KDM4E (0.50) KDM4ENAPRTTSHRSMN1; SMN2LMNA
SCHEMBL6118994 0.77 KDM4E (0.48) KDM4ENAPRTTSHRSMN1; SMN2LMNA
SCHEMBL4659249 0.77 KDM4E (0.59) KDM4ENAPRTTSHRSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL28213025 0.75 KDM4E (0.57) KDM4ENAPRTTSHRSMN1; SMN2LMNA
SCHEMBL4024762 0.72 COMT (0.39) KDM4ENAPRTTSHRSMN1; SMN2LMNA
SCHEMBL8438731 0.72 KDM4E (0.65) KDM4ENAPRTTSHRSMN1; SMN2LMNA
SCHEMBL27282406 0.72 NNMT (0.45) KDM4ETSHRSMN1; SMN2LMNATDP1
SCHEMBL7558103 0.70 HSP90AA1 (0.35) KDM4ENAPRTTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL27466194 0.70 COMT (0.38) KDM4ENAPRTTSHRSMN1; SMN2LMNA
SCHEMBL13359388 0.70 NAPRT (0.54) KDM4ENAPRTTSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2707911-B1 COMPOSITIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-07-05 EP disclosed
US-9496502-B2 Organic ionic compounds, compositions and electronic devices MERCK PATENT GMBH (DE) 2016-11-15 US disclosed
US-9496502-B2 Organic ionic compounds, compositions and electronic devices MERCK PATENT GMBH (DE) 2016-11-15 US disclosed
US-20140249606-A1 ORGANIC IONIC COMPOUNDS, COMPOSITIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2014-09-04 US disclosed
US-20140249606-A1 ORGANIC IONIC COMPOUNDS, COMPOSITIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2014-09-04 US disclosed
WO-2012152366-A1 ORGANIC IONIC COMPOUNDS, COMPOSITIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-15 WO disclosed