SCHEMBL8813508

SCHEMBL8813508

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.59
IGF1R P08069 1/20 0.56
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TTR P02766 2/20 0.51
AKR1B1 P15121 1/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.46
NAT1 P18440 1/20 0.44
HTR6 P50406 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
GSK3B P49841 1/20 0.42

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
SCHEMBL8690423 1.00 PARP1 (0.59) PARP1IGF1RKMT2AMEN1TTR
SCHEMBL8810230 0.93 PARP1 (0.56) PARP1IGF1RKMT2AMEN1TTR
SCHEMBL8688067 0.93 PARP1 (0.56) PARP1IGF1RKMT2AMEN1TTR
SCHEMBL8687930 0.89 PARP1 (0.56) PARP1IGF1RKMT2AMEN1TTR
SCHEMBL8809401 0.89 PARP1 (0.56) PARP1IGF1RKMT2AMEN1TTR
SCHEMBL8812712 0.89 PARP1 (0.56) PARP1IGF1RKMT2AMEN1TTR
SCHEMBL8686803 0.89 PARP1 (0.56) PARP1IGF1RKMT2AMEN1TTR
SCHEMBL8808681 0.89 PARP1 (0.56) PARP1IGF1RKMT2AMEN1TTR
SCHEMBL8685047 0.89 PARP1 (0.56) PARP1IGF1RKMT2AMEN1TTR
SCHEMBL8813512 0.88 ALDH1A1 (0.53) PARP1IGF1RKMT2AMEN1ALDH1A1

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