SCHEMBL8811297

SCHEMBL8811297

COc1cccc(Cn2cc(CC3NC(=O)SC3=O)c3ccccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ABCC2 Q92887 1/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA4 P43681 2/20 0.42
POLB P06746 2/20 0.42
PLA2G2A P14555 2/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR6 P50406 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
CMA1 P23946 1/20 0.40

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 0.89 SLC2A1 (0.43) MAPTPOLBALDH1A1L3MBTL1TP53
SCHEMBL8812658 0.87 ALDH1A1 (0.47) MAPTCHRNB2CHRNA7CHRNA4POLB
SCHEMBL8685513 0.86 CYP19A1 (0.47) MAPTCHRNB2CHRNA7CHRNA4POLB
SCHEMBL8811123 0.85 ALDH1A1 (0.51) POLBALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL8810896 0.83 PARP1 (0.55) MAPTALDH1A1HTR6TP53LMNA
SCHEMBL8809489 0.83 ALDH1A1 (0.41) MAPTCHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL8811798 0.82 TP53 (0.46) MAPTCHRNB2CHRNA7CHRNA4POLB
SCHEMBL8809651 0.82 SLC2A1 (0.36) MAPTCHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL8814259 0.81 TNF (0.41) POLBALDH1A1HTR6LMNA
SCHEMBL8810072 0.81 PARP1 (0.41) CHRNB2CHRNA7CHRNA4POLBALDH1A1

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