SCHEMBL6467085

SCHEMBL6467085

Cc1cc(C2C3=C(CCS3)NC3=C2C(=O)CCC3)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 15/20 0.55
ABCC8 Q09428 15/20 0.55
KCNJ11 Q14654 15/20 0.55
KCNJ8 Q15842 15/20 0.55
GPR174 Q9BXC1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6431863 0.92 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL6908807 0.88 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL6471235 0.86 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL6432510 0.86 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL6465855 0.86 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6910686 0.86 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL6904218 0.86 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7236086 0.85 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7628925 0.85 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7233522 0.85 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8GPR174

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP claimed