SCHEMBL8813667

SCHEMBL8813667

O=C1NC(=O)C(=Cc2cccc3c2ccn3Cc2cccc(F)c2)S1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.61
PIM1 P11309 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TTR P02766 2/20 0.47
AKR1B1 P15121 1/20 0.47
IGF1R P08069 1/20 0.46
HTR6 P50406 1/20 0.44
SLC2A1 P11166 1/20 0.43
KDM4E B2RXH2 1/20 0.43
BLM P54132 1/20 0.43
PLA2G1B P04054 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL8690587 1.00 PARP1 (0.61) PARP1PIM1PIM2ALDH1A1LMNA
SCHEMBL8685837 0.93 PARP1 (0.62) PARP1PIM1PIM2ALDH1A1MEN1
SCHEMBL8811177 0.93 PARP1 (0.62) PARP1PIM1PIM2ALDH1A1MEN1
SCHEMBL8811679 0.90 PARP1 (0.76) PARP1PIM1PIM2MEN1KMT2A
SCHEMBL8687701 0.90 PARP1 (0.76) PARP1PIM1PIM2MEN1KMT2A
SCHEMBL8811988 0.89 PARP1 (0.60) PARP1PIM1PIM2ALDH1A1LMNA
SCHEMBL8686453 0.89 PARP1 (0.60) PARP1PIM1PIM2ALDH1A1LMNA
SCHEMBL8809167 0.89 PARP1 (0.62) PARP1PIM1PIM2ALDH1A1LMNA
SCHEMBL8685371 0.89 PARP1 (0.62) PARP1PIM1PIM2ALDH1A1LMNA
SCHEMBL8685959 0.88 PARP1 (0.66) PARP1ALDH1A1MEN1KMT2ATTR

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