SCHEMBL6912871

SCHEMBL6912871

CC(=O)C1=C(C)NC2=C(C1c1ccc(Cl)c([N+](=O)[O-])c1)S(O)(O)CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.50
ABCC8 Q09428 10/20 0.50
KCNJ11 Q14654 10/20 0.50
KCNJ8 Q15842 10/20 0.50
KMT2A Q03164 3/20 0.44
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX12 P18054 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6911320 0.91 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6912853 0.87 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6908699 0.84 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6910817 0.77 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7250504 0.75 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL11860028 0.74 KMT2A (0.65) KMT2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL3323421 0.71 KDM4E (0.59) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL11784675 0.69 KMT2A (0.69) KMT2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL10364990 0.67 ALDH1A1 (0.57) KMT2ALMNAMAPTALDH1A1L3MBTL1
SCHEMBL6910512 0.67 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8KMT2A

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