SCHEMBL8809489

SCHEMBL8809489

N#Cc1cccc(Cn2cc(CC3NC(=O)SC3=O)c3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 4/20 0.39
CYP19A1 P11511 3/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PARP1 P09874 2/20 0.38
NPM1 P06748 1/20 0.38
PIK3CA P42336 2/20 0.38
CHRM3 P20309 1/20 0.38
MTOR P42345 1/20 0.38
CHRNB2 P17787 1/20 0.37

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
SCHEMBL8812059 0.89 CYP19A1 (0.50) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL8809304 0.89 L3MBTL1 (0.38) L3MBTL1CYP19A1PIK3CACHRM3PIK3R1
SCHEMBL8685513 0.86 CYP19A1 (0.47) ALDH1A1MEN1KMT2ALMNACYP19A1
SCHEMBL8812658 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1LMNACYP19A1
SCHEMBL8811123 0.85 ALDH1A1 (0.51) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL8811297 0.83 MAPT (0.48) ALDH1A1KMT2AL3MBTL1LMNAMAPT
SCHEMBL8810896 0.83 PARP1 (0.55) ALDH1A1SMN1; SMN2LMNAMAPTPARP1
SCHEMBL8814259 0.81 TNF (0.41) ALDH1A1HTTSMN1; SMN2TDP1LMNA
SCHEMBL8810072 0.81 PARP1 (0.41) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL8809479 0.81 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2MEN1KMT2A

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