SCHEMBL9397011

SCHEMBL9397011

Cn1nnnc1-c1ccc2c(c1)[C@H](n1ccccc1=O)[C@@H](O)C(C)(C)O2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 16/20 0.44
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
ABCB1 P08183 1/20 0.34
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 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
SCHEMBL9049722 0.84 ABCC9 (0.40) ABCC9ABCB1
SCHEMBL9054344 0.84 HSD11B1 (0.40) ABCC9LMNA
SCHEMBL9394870 0.81 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9092753 0.80 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9092749 0.80 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9394843 0.80 KCNE1 (0.40) ABCC9ABCB1
SCHEMBL9143344 0.77 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9143340 0.77 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9142294 0.77 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9143349 0.77 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed