SCHEMBL8730604

SCHEMBL8730604

CS(=O)(=O)c1c(-c2ccccc2)n[nH]c1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 2/20 0.54
KCNJ11 Q14654 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
S1PR4 O95977 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
S1PR1 P21453 1/20 0.43
SDHB P21912 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TLR9 Q9NR96 1/20 0.43

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
SCHEMBL7779584 0.79 PTGS2 (0.58) ABCC8KCNJ11L3MBTL1MEN1KMT2A
SCHEMBL17279853 0.74 HPGD (0.45) L3MBTL1HPGDNPSR1RAB9AHSD17B10
SCHEMBL13715627 0.72 ABCC8 (0.56) ABCC8KCNJ11L3MBTL1HPGDNPSR1
SCHEMBL13715761 0.72 ABCC8 (0.56) ABCC8KCNJ11L3MBTL1HPGDNPSR1
SCHEMBL2875560 0.72 ABCC8 (0.56) ABCC8KCNJ11L3MBTL1HPGDNPSR1
SCHEMBL12273674 0.72 L3MBTL1 (0.60) ABCC8KCNJ11L3MBTL1HPGDNPSR1
SCHEMBL2374709 0.72 ABCC8 (0.56) ABCC8KCNJ11L3MBTL1HPGDNPSR1
SCHEMBL6892419 0.72 ABCC8 (0.56) ABCC8KCNJ11L3MBTL1HPGDNPSR1
SCHEMBL15715941 0.72 ABCC8 (0.56) ABCC8KCNJ11L3MBTL1HPGDNPSR1
SCHEMBL7773326 0.71 LRRK2 (0.68) ABCC8KCNJ11L3MBTL1MEN1KMT2A

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-0823889-A1 1,3-PROPANE DIOL DERIVATIVES AS BIOACTIVE COMPOUNDS SCOTIA HOLDINGS PLC (GB) 1998-02-18 EP disclosed
WO-1996034846-A1 1,3-PROPANE DIOL DERIVATIVES AS BIOACTIVE COMPOUNDS SCOTIA HOLDINGS PLC (GB) 1996-11-07 WO disclosed