SCHEMBL6912853

SCHEMBL6912853

CC(=O)C1=C(C)NC2=C(C1c1ccc(Cl)c(Cl)c1)S(O)(O)CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.56
ABCC8 Q09428 12/20 0.56
KCNJ11 Q14654 12/20 0.56
KCNJ8 Q15842 12/20 0.56
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
RPS6KB1 P23443 1/20 0.33

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
SCHEMBL6910817 0.89 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6912871 0.87 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6911320 0.77 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6908699 0.72 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL3320454 0.63 ALDH1A1 (0.65) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL3035270 0.63 TSHR (0.59) ALDH1A1HPGDHSD17B10NPSR1KDM4E
SCHEMBL8437322 0.63 NPSR1 (0.49) LMNAHPGDHSD17B10NPSR1KDM4E
SCHEMBL7239344 0.62 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8322694 0.62 MAPT (0.35) ALDH1A1LMNAHPGDNPSR1TSHR
SCHEMBL6910783 0.61 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1

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
EP-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 EP claimed