SCHEMBL3869129

SCHEMBL3869129

CCn1cc(C(=O)OC)c(=O)c2cc(F)c(F)c(OC)c21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.45
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 5/20 0.43
STAT3 P40763 1/20 0.43
PMP22 Q01453 1/20 0.42
NR4A2 P43354 1/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
PIM1 P11309 1/20 0.41
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL584797 0.91 STAT3 (0.53) ALDH1A1KDM4EHPGDHSD17B10STAT3
SCHEMBL8503513 0.89 KDM4E (0.53) TOP1BRD4ALDH1A1KDM4EHPGD
SCHEMBL9233680 0.89 KDM4E (0.41) TOP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3969340 0.89 HSD17B10 (0.41) TOP1BRD4ALDH1A1KDM4EHPGD
SCHEMBL12586303 0.88 TOP1 (0.44) TOP1BRD4KDM4ESTAT3KMT2A
SCHEMBL3820416 0.87 TOP1 (0.44) TOP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9233676 0.86 KDM4E (0.51) TOP1BRD4ALDH1A1KDM4EHPGD
SCHEMBL964499 0.82 STAT3 (0.52) ALDH1A1KDM4EHPGDHSD17B10STAT3
SCHEMBL16026588 0.82 STAT3 (0.54) TOP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31151754 0.82 STAT3 (0.54) TOP1ALDH1A1KDM4EHPGDHSD17B10

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-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 EP disclosed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 WO disclosed