SCHEMBL8809697

SCHEMBL8809697

O=C1NC(Cc2cccc3c2ccn3Cc2ccccc2F)C(=O)S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOD2 Q9HC29 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP19A1 P11511 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TNF P01375 2/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
DRD2 P14416 2/20 0.36

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
SCHEMBL8812495 0.93 TNF (0.39) HTR6NPC1RAB9ANOD2ALDH1A1
SCHEMBL8809642 0.91 HTR6 (0.36) HTR6NPC1RAB9ANOD2ALDH1A1
SCHEMBL8810446 0.90 PPARG (0.38) HTR6NPC1RAB9ANOD2ALDH1A1
SCHEMBL8808816 0.90 HTR6 (0.34) HTR6NPC1RAB9ANOD2ALDH1A1
SCHEMBL8811311 0.88 NPC1 (0.50) NPC1RAB9ANOD2ALDH1A1SMN1; SMN2
SCHEMBL8813825 0.87 CYP19A1 (0.39) HTR6ALDH1A1CYP19A1MAPTKDM4E
SCHEMBL8685833 0.87 HTR6 (0.43) HTR6ALDH1A1CYP19A1KMT2A
SCHEMBL8811090 0.86 KDM1A (0.38) ALDH1A1
SCHEMBL8810754 0.86 PARP1 (0.41) HTR6ALDH1A1SMN1; SMN2HTTCYP19A1
SCHEMBL8810937 0.85 TNF (0.40) HTR6TNF

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