SCHEMBL17590

SCHEMBL17590

CS(=O)(=O)c1nccc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.59
SDHB P21912 5/20 0.51
NPSR1 Q6W5P4 4/20 0.49
LMNA P02545 4/20 0.49
STAT3 P40763 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 2/20 0.49
STAT1 P42224 2/20 0.49
TLR9 Q9NR96 2/20 0.49
MEN1 O00255 1/20 0.49
S1PR4 O95977 1/20 0.49
POLB P06746 1/20 0.49
S1PR1 P21453 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
CTSS P25774 1/20 0.47
PTGS2 P35354 1/20 0.46

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
SCHEMBL7676169 0.89 KMO (0.47) KMOSDHBNPSR1LMNASTAT3
SCHEMBL30122726 0.85 SDHB (0.47) KMOSDHBNPSR1LMNASTAT3
SCHEMBL7001627 0.83 MAPK13 (0.50) KMOSDHBNPSR1LMNASTAT3
SCHEMBL18963 0.83 NPSR1 (0.49) SDHBNPSR1LMNASTAT3RAB9A
SCHEMBL5593061 0.82 SDHB (0.68) KMOSDHBNPSR1LMNASTAT3
SCHEMBL3569045 0.81 SDHB (0.76) SDHBNPSR1LMNASTAT3RAB9A
SCHEMBL7215386 0.81 MAPK11 (0.61) KMOSDHBNPSR1LMNASTAT3
SCHEMBL8666474 0.80 SDHB (0.56) KMOSDHBNPSR1LMNASTAT3
SCHEMBL14561097 0.80 MAPT (0.44) KMOSDHBNPSR1LMNASTAT3
SCHEMBL5823023 0.80 CDC7 (0.44) KMOSDHBNPSR1LMNASTAT3

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
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed
US-4209621-A TRANQUILIZERS AMERICAN CYANAMID COMPANY (US) 1980-06-24 US disclosed