SCHEMBL28028814

SCHEMBL28028814

O=C(O)N(CCc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.59
TAS2R14 Q9NYV8 8/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CNR2 P34972 2/20 0.51
POLB P06746 1/20 0.49
NR1I2 O75469 1/20 0.49
BMP1 P13497 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CXCR3 P49682 1/20 0.44

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
SCHEMBL7014542 0.89 CNR2 (0.68) TAS2R14MEN1KMT2ACNR2POLB
SCHEMBL28028361 0.79 RCE1 (0.47) MEN1KMT2ACNR2NPC1RAB9A
SCHEMBL28255833 0.79 HSP90AA1 (0.50) MEN1KMT2ACNR2NPC1RAB9A
SCHEMBL28160599 0.79 NR1I2 (0.51) HSD11B1MEN1KMT2ACNR2POLB
SCHEMBL15086440 0.78 TDP1 (0.59) HSD11B1MEN1KMT2ACNR2POLB
SCHEMBL28091843 0.78 TDP1 (0.65) HSD11B1MEN1KMT2ACNR2NR1I2
SCHEMBL6962607 0.76 CNR2 (0.59) TAS2R14MEN1KMT2ACNR2POLB
SCHEMBL9490277 0.76 TDP1 (0.57) HSD11B1CNR2NR1I2NPC1RAB9A
SCHEMBL9490707 0.76 TDP1 (0.57) HSD11B1CNR2NR1I2NPC1RAB9A
SCHEMBL411162 0.75 HDAC3 (0.55) MEN1KMT2ACNR2NR1I2MAPT

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-104969406-A Electrolyte solution for electrochemical device and electrochemical device WAKO PURE CHEM IND LTD 2015-10-07 CN disclosed