SCHEMBL6908699

SCHEMBL6908699

CC(=O)C1=C(C)NC2=C(C1c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)CCC2.O=Cc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 16/20 0.55
ABCC8 Q09428 16/20 0.55
KCNJ11 Q14654 16/20 0.55
KCNJ8 Q15842 16/20 0.55
VCAM1 P19320 1/20 0.43
KMT2A Q03164 1/20 0.40
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
MAPT P10636 1/20 0.34

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 0.93 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6912871 0.84 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8VCAM1
SCHEMBL6910817 0.81 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7250504 0.80 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6912853 0.72 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7267078 0.70 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7267067 0.70 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7643822 0.69 ABCC9 (0.87) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL11860028 0.69 KMT2A (0.65) KMT2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL7266650 0.68 HIF1A (0.60) 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 disclosed