SCHEMBL8356318

SCHEMBL8356318

O=C(O)c1c(OC(=O)N(c2ccccc2)c2ccccc2)ccnc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LIPE Q05469 3/20 0.36
PTGIR P43119 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
TSHR P16473 2/20 0.35
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMO O15229 1/20 0.33

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
SCHEMBL28374447 0.77 HSD17B10 (0.50) HTTHSD17B10L3MBTL1TAS2R14ALDH1A1
SCHEMBL8362229 0.75 RXRA (0.49) HTTHSD17B10
SCHEMBL8358184 0.71 HTT (0.43) HTTHSD17B10TAS2R14ALDH1A1KMO
SCHEMBL16965604 0.70 L3MBTL1 (0.70) HTTL3MBTL1ATMTDP1LMNA
SCHEMBL6730105 0.70 KDM4E (0.43) HTTL3MBTL1ATMTDP1LMNA
SCHEMBL8362451 0.68 HTT (0.51) HTTHSD17B10L3MBTL1TAS2R14ALDH1A1
SCHEMBL11964238 0.68 HTT (0.51) HTTHSD17B10L3MBTL1TAS2R14ALDH1A1
SCHEMBL8356321 0.68 ATM (0.42) L3MBTL1ATMTDP1LMNANPSR1
SCHEMBL17092998 0.67 L3MBTL1 (0.66) HTTL3MBTL1ATMTDP1LMNA
SCHEMBL17329609 0.67 HTT (0.41) HTTHSD17B10L3MBTL1LMNANPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999041237-A1 SUBSTITUTED PYRIDINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY G.D. SEARLE & CO. (US) 1999-08-19 WO disclosed