SCHEMBL8809642

SCHEMBL8809642

O=C1NC(Cc2cccc3c2ccn3Cc2c(F)cccc2F)C(=O)S1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.36
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
TNF P01375 3/20 0.32
RIPK1 Q13546 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NOD2 Q9HC29 1/20 0.32
LMNA P02545 2/20 0.31
DRD2 P14416 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL8809697 0.91 HTR6 (0.42) HTR6ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8812495 0.90 TNF (0.39) HTR6ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8810754 0.86 PARP1 (0.41) HTR6ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8810937 0.85 TNF (0.40) HTR6TNF
SCHEMBL8810446 0.85 PPARG (0.38) HTR6ALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL8808816 0.85 HTR6 (0.34) HTR6ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8809453 0.85 MPO (0.38) HTR6ALDH1A1SMN1; SMN2TNFLMNA
SCHEMBL8685833 0.84 HTR6 (0.43) HTR6ALDH1A1KMT2ALMNA
SCHEMBL8810664 0.84 MPO (0.46) HTR6ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8813825 0.83 CYP19A1 (0.39) HTR6ALDH1A1KDM4ETSHR

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