SCHEMBL5014297

SCHEMBL5014297

CC1CN(c2c(CO)cc(C(O)=S)c(F)c2F)CC(C)O1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 7/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
PDK1 Q15118 1/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL3069796 0.87 KDM4E (0.38) KDM4EHTTMAPTALDH1A1NPSR1
SCHEMBL2309750 0.85 TSHR (0.38) KDM4EHTTMAPTALDH1A1NPSR1
Hydrochloric Acid SCHEMBL5012175 0.84 MAPT (0.34) KDM4EHTTMAPTTSHR
SCHEMBL5014295 0.84 TSHR (0.37) KDM4EHTTALDH1A1NPSR1HPGD
SCHEMBL2307645 0.81 TSHR (0.36) KDM4EHTTALDH1A1NPSR1HPGD
SCHEMBL2305888 0.81 ALDH1A1 (0.45) KDM4EMAPTALDH1A1NPSR1HPGD
SCHEMBL3653239 0.80 KDM4E (0.33) KDM4EHTTALDH1A1NPSR1TSHR
SCHEMBL3066491 0.77 KDM4E (0.36) KDM4EHTTMAPTALDH1A1NPSR1
SCHEMBL3701209 0.76 KDM4E (0.36) KDM4EHTTMAPTALDH1A1NPSR1
SCHEMBL2309754 0.76 KDM4E (0.36) KDM4EHTTMAPTALDH1A1NPSR1

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-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 WO disclosed