SCHEMBL8811090

SCHEMBL8811090

O=C1NC(Cc2cccc3c2ccn3Cc2ccccc2C(F)(F)F)C(=O)S1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 2/20 0.35
C5AR1 P21730 9/20 0.35
CHRM1 P11229 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CCR1 P32246 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL8808975 0.89 DAO (0.34) KDM1AEPHX2C5AR1PPARG
SCHEMBL8808936 0.89 KDM1A (0.44) KDM1ATDP1C5AR1CHRM1ALDH1A1
SCHEMBL8809697 0.86 HTR6 (0.42) ALDH1A1
SCHEMBL8813445 0.85 HTR6 (0.40) ALDH1A1
SCHEMBL8813825 0.84 CYP19A1 (0.39) ALDH1A1
SCHEMBL8810643 0.84 TACR1 (0.39)
SCHEMBL8685833 0.84 HTR6 (0.43) ALDH1A1
SCHEMBL8812495 0.83 TNF (0.39) ALDH1A1
SCHEMBL8809597 0.83 PARP1 (0.47) ALDH1A1MKNK1MKNK2
SCHEMBL8809200 0.82 PDE4A (0.33) ALDH1A1PPARG

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