SCHEMBL7741529

SCHEMBL7741529

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNC(=NC#N)Nc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.58
KCNJ11 Q14654 12/20 0.58
ABCC8 Q09428 8/20 0.58
KCNJ8 Q15842 8/20 0.58
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
NAMPT P43490 3/20 0.53
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL7742284 0.93 ABCC9 (0.54) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL6612323 0.91 NAMPT (0.55) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL7742276 0.91 ABCC9 (0.56) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL7143286 0.90 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL6614448 0.90 CYP11B1 (0.54) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL6615774 0.90 NAMPT (0.47) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL6611583 0.90 ABCC9 (0.54) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL7145794 0.89 KCNJ11 (0.44) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL6647532 0.89 ABCC9 (0.54) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL6643209 0.88 CYP11B1 (0.58) ABCC9KCNJ11ABCC8KCNJ8CYP11B1

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-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed