SCHEMBL7499328

SCHEMBL7499328

Cn1[nH]c(=O)c2c1NC1=C(C(=O)CC1)C2c1ccc(F)c(I)c1.O=Cc1ccc(F)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 19/20 0.43
KCNJ11 Q14654 19/20 0.43
ABCC8 Q09428 17/20 0.43
KCNJ8 Q15842 17/20 0.43
BRD4 O60885 1/20 0.40
BRDT Q58F21 1/20 0.40

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
SCHEMBL4255000 0.93 ABCC9 (0.48) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL7548646 0.90 ABCC9 (0.44) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6649863 0.82 ABCC9 (0.49) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6643887 0.81 ABCC9 (0.62) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6644712 0.81 ABCC9 (0.57) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6646960 0.80 ABCC9 (0.46) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6644720 0.79 ABCC9 (0.50) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL7500218 0.78 VCAM1 (0.43) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6849040 0.78 ABCC9 (0.39) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6852181 0.76 ABCC9 (0.48) ABCC9KCNJ11ABCC8KCNJ8BRD4

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