SCHEMBL8809453

SCHEMBL8809453

O=C1NC(Cc2cccc3c2ccn3Cc2cc(F)cc(F)c2)C(=O)S1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.38
HTR6 P50406 3/20 0.34
DBH P09172 2/20 0.33
SLC2A1 P11166 1/20 0.33
CYP19A1 P11511 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TNF P01375 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
PARP1 P09874 1/20 0.32
P2RX7 Q99572 1/20 0.31
EPHX2 P34913 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
SCHEMBL8810664 0.93 MPO (0.46) MPOHTR6DBHSLC2A1CYP19A1
SCHEMBL8810754 0.91 PARP1 (0.41) MPOHTR6CYP19A1ALDH1A1LMNA
SCHEMBL8810937 0.88 TNF (0.40) MPOHTR6TNFPARP1P2RX7
SCHEMBL8685833 0.87 HTR6 (0.43) MPOHTR6CYP19A1ALDH1A1LMNA
SCHEMBL8810643 0.87 TACR1 (0.39) LMNASMN1; SMN2PARP1
SCHEMBL8810072 0.86 PARP1 (0.41) CYP19A1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL8810446 0.86 PPARG (0.38) MPOHTR6ALDH1A1LMNASMN1; SMN2
SCHEMBL8808816 0.86 HTR6 (0.34) MPOHTR6CYP19A1ALDH1A1LMNA
SCHEMBL8812580 0.85 TNF (0.37) MPOHTR6CYP19A1TNFPARP1
SCHEMBL8809697 0.85 HTR6 (0.42) HTR6CYP19A1ALDH1A1SMN1; SMN2TNF

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