SCHEMBL8811136

SCHEMBL8811136

O=C1NC(=Cc2cn(Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c3ccccc23)C(=O)S1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.58
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
PTGS2 P35354 1/20 0.39
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 3/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PTPN1 P18031 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL8811799 0.89 PARP1 (0.56) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8811126 0.89 PARP1 (0.74) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8811130 0.89 PARP1 (0.74) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8813331 0.88 PARP1 (0.47) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8810780 0.85 PARP1 (0.66) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8809356 0.85 PARP1 (0.79) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8814205 0.80 MAPT (0.70) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8812826 0.79 PARP1 (0.57) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8810454 0.78 PARP1 (0.43) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8811790 0.78 PARP1 (0.73) PARP1SMN1; SMN2MEN1KMT2AALDH1A1

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 1 patent. 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 disclosed