SCHEMBL5069933

SCHEMBL5069933

COc1c(N2CC(C)C(C)(N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3F)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
KCNH2 Q12809 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 2/20 0.55
POLB P06746 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
PRKD3 O94806 1/20 0.55
ALOX15 P16050 1/20 0.55
OPRM1 P35372 1/20 0.55
CLK2 P49760 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
CYP3A4 P08684 1/20 0.53
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL3973982 1.00 KDM4E (0.55) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL3973986 1.00 KDM4E (0.55) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL4089175 1.00 KDM4E (0.55) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL3976853 0.92 KCNH2 (0.55) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL3984115 0.91 KCNH2 (0.55) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL3974108 0.91 KCNH2 (0.54) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL10306129 0.91 KCNH2 (0.54) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL15090843 0.90 KDM4E (0.44) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL14308969 0.90 KCNH2 (0.54) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL4261553 0.90 KCNH2 (0.54) KDM4EKCNH2ALDH1A1HPGDHSD17B10

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-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP claimed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP claimed