SCHEMBL7244665

SCHEMBL7244665

CC1(C)CCC2=C(C1=O)C(c1ccc([N+](=O)[O-])cc1)C1=C(CCS1)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.39
ABCC9 O60706 3/20 0.39
ABCC8 Q09428 3/20 0.39
KCNJ11 Q14654 3/20 0.39
KCNJ8 Q15842 3/20 0.39
LMNA P02545 3/20 0.34
RECQL P46063 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
NOTCH1 P46531 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
CCNA1 P78396 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL7628658 0.88 ALDH1A1 (0.40) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL7235703 0.86 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL7629532 0.85 ABCC9 (0.43) GPR174ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7243050 0.85 ABCC9 (0.45) GPR174ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7239802 0.85 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL7626510 0.85 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL7626088 0.84 MAPT (0.40) ABCC9ABCC8KCNJ11KCNJ8GSK3A
SCHEMBL7242435 0.83 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8GSK3A
SCHEMBL7234673 0.83 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL7235270 0.82 ABCC9 (0.34) ABCC9ABCC8KCNJ11KCNJ8GSK3A

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
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed