SCHEMBL7630640

SCHEMBL7630640

O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])c(OC(F)F)c1)C1=C(CCS1)N2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.45
ABCC8 Q09428 6/20 0.45
KCNJ11 Q14654 6/20 0.45
KCNJ8 Q15842 6/20 0.45
BCHE P06276 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR174 Q9BXC1 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6432141 0.93 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7236564 0.88 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7233074 0.86 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7236941 0.85 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7235689 0.85 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7629544 0.85 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL6467085 0.83 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6436413 0.82 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7235400 0.81 ABCC9 (0.69) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6465855 0.81 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8

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 disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO disclosed