SCHEMBL8809651

SCHEMBL8809651

COc1cc(Cn2ccc3c(CC4NC(=O)SC4=O)cccc32)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
BRD4 O60885 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADAM17 P78536 1/20 0.33
LPO P22079 1/20 0.33
MPO P05164 1/20 0.33
OPRK1 P41145 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL8809719 0.93 SLC2A1 (0.43) SLC2A1MAPTLMNATP53MEN1
SCHEMBL8810917 0.91 CHRNB2 (0.41) MAPTLMNATP53CHRNB2CHRNA7
SCHEMBL8808821 0.87 CHRNB2 (0.44) MAPTLMNAKMT2ACHRNB2CHRNA7
SCHEMBL8809469 0.86 EGFR (0.39) MAPTLMNATP53MEN1KMT2A
SCHEMBL8813914 0.86 CA2 (0.40) MAPTTP53HDAC3HDAC1HDAC6
SCHEMBL8809453 0.85 MPO (0.38) SLC2A1BRD4LMNAMPOALDH1A1
SCHEMBL8685833 0.84 HTR6 (0.43) LMNAKMT2AMPOCHRNB2CHRNA7
SCHEMBL8811856 0.84 DBH (0.41) MAPTLMNATP53MEN1KMT2A
SCHEMBL8811872 0.84 SLC2A1 (0.41) SLC2A1MAPTLMNATP53MEN1
SCHEMBL8814121 0.84 PARP1 (0.41) TP53MEN1KMT2AMPO

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-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed