SCHEMBL6203316

SCHEMBL6203316

COc1ccc(OC)c2c1C(=O)c1c-2[nH]c2ccc(OCCN(C)C)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
FLT3 P36888 1/20 0.43
HTR1A P08908 3/20 0.42
HTR1D P28221 3/20 0.42
HTR7 P34969 3/20 0.42
HTR5A P47898 3/20 0.42
HTR6 P50406 3/20 0.42
SLC6A4 P31645 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TOP1 P11387 1/20 0.41
TNKS O95271 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC6A2 P23975 2/20 0.40
HTR1E P28566 2/20 0.40
PDGFRB P09619 1/20 0.40

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
Hydrochloric Acid SCHEMBL7227737 0.99 PARP1 (0.46) PARP1FLT3HTR1AHTR1DHTR7
SCHEMBL6203062 0.86 PARP1 (0.46) PARP1FLT3HTR1AHTR1DHTR7
Hydrochloric Acid SCHEMBL7235812 0.85 PARP1 (0.45) PARP1FLT3HTR1AHTR1DHTR7
SCHEMBL6202601 0.81 KDM4E (0.47) PARP1FLT3TNKSKDM4EALDH1A1
SCHEMBL6498712 0.80 MAOA (0.52) MAOA
Hydrochloric Acid SCHEMBL7236341 0.80 KDM4E (0.46) PARP1FLT3TNKSKDM4EALDH1A1
SCHEMBL6197999 0.80 TOP2A (0.54) PARP1HTR1AHTR1DHTR7HTR5A
Hydrochloric Acid SCHEMBL7236484 0.79 TOP2A (0.53) PARP1HTR1AHTR1DHTR7HTR5A
Hydrochloric Acid SCHEMBL7226811 0.77 TOP1 (0.44) PARP1HTR1AHTR1DHTR7HTR5A
Hydrochloric Acid SCHEMBL7226816 0.77 TOP1 (0.44) PARP1HTR1AHTR1DHTR7HTR5A

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-1266887-B1 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-17 EP disclosed
EP-1266887-A2 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP disclosed