SCHEMBL6202601

SCHEMBL6202601

CCOc1cc2c(cc1OCC)-c1[nH]c3ccc(OCCN(C)C)cc3c1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
PARP1 P09874 2/20 0.45
TOP2A P11388 2/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41
ESR1 P03372 2/20 0.41
KDR P35968 2/20 0.41
TNKS O95271 2/20 0.40
MAPT P10636 1/20 0.39
CHRNA7 P36544 1/20 0.39
ALK Q9UM73 1/20 0.39
NUAK1 O60285 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 2/20 0.39
ROCK2 O75116 1/20 0.39

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 SCHEMBL7236341 0.99 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDPARP1
SCHEMBL6203062 0.90 PARP1 (0.46) KDM4EALDH1A1HSD17B10HPGDPARP1
Hydrochloric Acid SCHEMBL7235812 0.89 PARP1 (0.45) KDM4EALDH1A1HSD17B10HPGDPARP1
SCHEMBL6197999 0.84 TOP2A (0.54) KDM4EALDH1A1HSD17B10HPGDPARP1
Hydrochloric Acid SCHEMBL7236484 0.84 TOP2A (0.53) KDM4EALDH1A1PARP1TOP2AKMT2A
SCHEMBL6202476 0.83 PARP1 (0.46) KDM4EALDH1A1HSD17B10HPGDPARP1
Hydrochloric Acid SCHEMBL7236878 0.82 PARP1 (0.46) KDM4EALDH1A1HSD17B10HPGDPARP1
SCHEMBL6203316 0.81 PARP1 (0.47) KDM4EALDH1A1HSD17B10HPGDPARP1
SCHEMBL7236414 0.80 PARP1 (0.38) KDM4EALDH1A1HSD17B10HPGDPARP1
Hydrochloric Acid SCHEMBL7227737 0.80 PARP1 (0.46) KDM4EALDH1A1HSD17B10HPGDPARP1

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