SCHEMBL8813618

SCHEMBL8813618

O=C1NC(=Cc2cccc3c2ccn3Cc2ccccc2-c2ccccc2)C(=O)S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIM1 P11309 4/20 0.36
PIM3 Q86V86 4/20 0.36
PIM2 Q9P1W9 4/20 0.36
STK17B O94768 2/20 0.36
BCL2 P10415 2/20 0.36
CSNK2A2 P19784 2/20 0.36
CDK7 P50613 2/20 0.36
DAPK1 P53355 2/20 0.36
CAMK4 Q16566 2/20 0.36
MAPK15 Q8TD08 2/20 0.36
PNPLA2 Q96AD5 2/20 0.36
HIPK3 Q9H422 2/20 0.36
APP P05067 2/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL8685246 0.88 PARP1 (0.57) PARP1MEN1KMT2APIM1PIM3
SCHEMBL8813612 0.88 PARP1 (0.57) PARP1MEN1KMT2APIM1PIM3
SCHEMBL8813512 0.86 ALDH1A1 (0.53) PARP1MEN1KMT2AALDH1A1MAPT
SCHEMBL8809827 0.86 PARP1 (0.45) PARP1MEN1KMT2AALDH1A1MAPT
SCHEMBL8685967 0.85 PARP1 (0.50) PARP1MEN1KMT2AALDH1A1MAPT
SCHEMBL8811879 0.83 PARP1 (0.43) PARP1MEN1KMT2AALDH1A1MAPT
SCHEMBL8810454 0.83 PARP1 (0.43) PARP1MEN1KMT2AALDH1A1MAPT
SCHEMBL8810236 0.83 ALDH1A1 (0.45) PARP1MEN1KMT2AALDH1A1MAPT
SCHEMBL8813934 0.79 PARP1 (0.48) PARP1MEN1KMT2AALDH1A1MAPT
SCHEMBL8809411 0.79 PARP1 (0.41) PARP1MEN1KMT2AALDH1A1MAPT

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