SCHEMBL28075196

SCHEMBL28075196

CC(C(=O)O)c1nccn1C.O=S(=O)(O)OS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
FGB P02675 1/20 0.34
TNNI3 P19429 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
BRCA1 P38398 1/20 0.34
TNNT2 P45379 1/20 0.34
CASP7 P55210 1/20 0.34
TNNC1 P63316 1/20 0.34
KEAP1 Q14145 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
Sulfuric Acid SCHEMBL28075197 0.91 KDM4E (0.45) KDM4EKMT2ASMN1; SMN2CYP2D6L3MBTL1
Sulfuric Acid SCHEMBL28388331 0.91 KDM4E (0.45) KDM4EKMT2ASMN1; SMN2CYP2D6L3MBTL1
SCHEMBL1491038 0.87 KDM4E (0.50) KDM4EKMT2ASMN1; SMN2CYP2D6L3MBTL1
Hydrochloric Acid SCHEMBL28360520 0.86 SMN1; SMN2 (0.49) KDM4EKMT2ASMN1; SMN2CYP2D6L3MBTL1
Bromide SCHEMBL28228586 0.86 KDM4E (0.49) KDM4EKMT2ASMN1; SMN2CYP2D6L3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL28615004 0.84 KMT2A (0.45) KDM4EKMT2ASMN1; SMN2CYP2D6L3MBTL1
SCHEMBL27778944 0.83 KDM4E (0.44) KDM4EKMT2ASMN1; SMN2CYP2D6L3MBTL1
SCHEMBL28851630 0.81 KDM4E (0.45) KDM4EKMT2ASMN1; SMN2CYP2D6L3MBTL1
SCHEMBL28276824 0.81 KDM4E (0.45) KDM4EKMT2ASMN1; SMN2CYP2D6L3MBTL1
Nitric Acid SCHEMBL28058756 0.79 KDM4E (0.43) KDM4EKMT2ASMN1; SMN2CYP2D6L3MBTL1

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
CN-104591938-B Synthetic method of pharmaceutical intermediate diarylmethane compound HENAN POLYTECHNIC (CN) 2016-05-25 CN disclosed