SCHEMBL9054344

SCHEMBL9054344

COc1ccc(CCn2nnnc2-c2ccc3c(c2)[C@H](n2ccccc2=O)[C@@H](O)C(C)(C)O3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ABCC9 O60706 4/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
CCR3 P51677 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL9394843 0.91 KCNE1 (0.40) HSD11B1SLC6A2SLC6A4ABCC9ALDH1A1
SCHEMBL9050651 0.88 ABCC9 (0.40) HSD11B1SLC6A2SLC6A4ABCC9
SCHEMBL9049722 0.88 ABCC9 (0.40) HSD11B1SLC6A2SLC6A4ABCC9
SCHEMBL9397011 0.84 ABCC9 (0.44) ABCC9LMNA
SCHEMBL9050314 0.80 SLC6A2 (0.42) HSD11B1SLC6A2SLC6A4ALDH1A1MEN1
SCHEMBL9048915 0.79 ABCC9 (0.49) HSD11B1SLC6A2SLC6A4ABCC9ALDH1A1
SCHEMBL8883144 0.75 HSD11B1 (0.40) HSD11B1SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL8085045 0.72 ABCC9 (0.42) ABCC9ALDH1A1KDM4EMEN1GAA
SCHEMBL9397103 0.72 SLC6A2 (0.39) HSD11B1SLC6A2SLC6A4ALDH1A1MEN1
SCHEMBL9394870 0.72 ABCC9 (0.42) ABCC9LMNA

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-0690855-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-01-10 EP disclosed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed