SCHEMBL6203630

SCHEMBL6203630

COc1cc2c(cc1OC)-c1[nH]c3ccc(OCCN4CCCCC4)cc3c1C2=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.52
TLR8 Q9NR97 1/20 0.52
TLR7 Q9NYK1 1/20 0.52
ACHE P22303 3/20 0.51
ESR1 P03372 2/20 0.50
HRH3 Q9Y5N1 2/20 0.47
FLT3 P36888 1/20 0.46
DRD2 P14416 1/20 0.46
ALK Q9UM73 1/20 0.46
MAOB P27338 1/20 0.46
KDR P35968 1/20 0.46

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 SCHEMBL7227956 0.99 PARP1 (0.52) PARP1TLR8TLR7ACHEESR1
SCHEMBL6203624 0.99 TLR8 (0.53) PARP1TLR8TLR7ACHEESR1
Hydrochloric Acid SCHEMBL7226820 0.98 TLR8 (0.52) PARP1TLR8TLR7ACHEESR1
SCHEMBL7234037 0.82 TLR8 (0.48) PARP1TLR8TLR7ACHEHRH3
SCHEMBL7234034 0.82 TLR8 (0.48) PARP1TLR8TLR7ACHEHRH3
SCHEMBL6203062 0.81 PARP1 (0.46) PARP1ESR1HRH3FLT3DRD2
Hydrochloric Acid SCHEMBL7235812 0.80 PARP1 (0.45) PARP1ESR1HRH3FLT3DRD2
SCHEMBL6203750 0.79 ALDH1A1 (0.50) KDR
SCHEMBL6202045 0.79 ESR1 (0.55) ACHEESR1HRH3MAOBKDR
Hydrochloric Acid SCHEMBL7234662 0.78 ABCG2 (0.49) KDR

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