SCHEMBL7548646

SCHEMBL7548646

Cc1ccc(C2C3=C(CCC3=O)Nc3c2c(=O)[nH]n3C)cc1I.Cc1ccc(C=O)cc1I

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 16/20 0.44
ABCC8 Q09428 16/20 0.44
KCNJ11 Q14654 16/20 0.44
KCNJ8 Q15842 16/20 0.44
BRD4 O60885 2/20 0.42
BRDT Q58F21 2/20 0.42
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6649863 0.92 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL7499328 0.90 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL6644997 0.83 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL4255000 0.82 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL7500218 0.78 VCAM1 (0.43) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL6643277 0.77 ABCC9 (0.37) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL6643734 0.76 BRD4 (0.47) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL6854166 0.75 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL6643887 0.74 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6643759 0.74 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8BRD4

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-1259510-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-11-27 EP disclosed
WO-2001066544-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed