SCHEMBL7628658

SCHEMBL7628658

CC1(C)CCC2=C(C1=O)C(c1cccc([N+](=O)[O-])c1)C1=C(CCS1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HTT P42858 1/20 0.40
ABCC9 O60706 2/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
CACNA1C Q13936 3/20 0.38
CACNA1F O60840 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1S Q13698 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL7244665 0.88 GPR174 (0.39) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6908037 0.85 KMT2A (0.43) ALDH1A1HTTABCC9ABCC8KCNJ11
SCHEMBL7243013 0.85 LMNA (0.44) ALDH1A1HTTKMT2AMEN1CACNA1C
SCHEMBL7234603 0.85 ABCC9 (0.45) ALDH1A1HTTABCC9ABCC8KCNJ11
SCHEMBL7242344 0.85 ABCC9 (0.45) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7621012 0.85 ABCC9 (0.43) ALDH1A1HTTABCC9ABCC8KCNJ11
SCHEMBL7235703 0.84 ABCC9 (0.47) ALDH1A1HTTABCC9ABCC8KCNJ11
SCHEMBL6436430 0.84 MEN1 (0.48) ALDH1A1HTTABCC9ABCC8KCNJ11
SCHEMBL7626510 0.83 ABCC9 (0.40) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7626088 0.82 MAPT (0.40) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8

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-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP claimed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO claimed