SCHEMBL8810550

SCHEMBL8810550

O=C1NC(=O)C(Cc2cn(Cc3cc(F)ccc3F)c3ccccc23)S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NOD2 Q9HC29 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CA2 P00918 1/20 0.39
HPGD P15428 1/20 0.39
CYP19A1 P11511 2/20 0.39
KCNH2 Q12809 1/20 0.39
PARP1 P09874 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL8811306 0.89 RAB9A (0.51) MGAMGAASIMGAM2NPC1
SCHEMBL8810577 0.87 PARP1 (0.51) ALDH1A1SMN1; SMN2HTTLMNAMEN1
SCHEMBL8811116 0.87 ALDH1A1 (0.51) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8808808 0.87 PPARG (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8810060 0.86 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8814248 0.85 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8811789 0.83 CA2 (0.49) LMNAMEN1MAPTKMT2ACA2
SCHEMBL8685509 0.82 POLB (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8810491 0.82 PPARG (0.51) ALDH1A1HTTLMNAMAPTCYP19A1
SCHEMBL8808926 0.81 KDM1A (0.48) MGAMGAASIMGAM2NPC1

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