SCHEMBL8000641

SCHEMBL8000641

COc1nc2ccccc2nc1-c1cccc(CCCCCCc2nnc(C)o2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.37
LMNA P02545 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.34
FAAH O00519 2/20 0.33
MAPK1 P28482 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GAA P10253 1/20 0.33
CES1 P23141 2/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
KMT2A Q03164 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL8008647 1.00 L3MBTL1 (0.37) L3MBTL1LMNAKDM4EALDH1A1POLB
SCHEMBL7998449 0.99 L3MBTL1 (0.38) L3MBTL1LMNAKDM4EALDH1A1POLB
SCHEMBL8008303 0.97 L3MBTL1 (0.38) L3MBTL1LMNAKDM4EALDH1A1POLB
SCHEMBL8009276 0.87 L3MBTL1 (0.34) L3MBTL1LMNAKDM4EALDH1A1POLB
SCHEMBL7998444 0.83 L3MBTL1 (0.32) L3MBTL1MTNR1AMTNR1B
SCHEMBL7998577 0.82 L3MBTL1 (0.32) L3MBTL1LMNAKDM4EALDH1A1POLB
SCHEMBL8000609 0.80 L3MBTL1 (0.33) L3MBTL1LMNAKDM4EALDH1A1POLB
SCHEMBL10260285 0.78 NAMPT (0.33) LMNAPOLBTHRBMTNR1AMTNR1B
SCHEMBL10262128 0.78 NAMPT (0.33) LMNAPOLBTHRBMTNR1AMTNR1B
SCHEMBL10292808 0.77 SMN1; SMN2 (0.34) ALDH1A1POLBMTNR1AMTNR1BMAPT

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-2009134987-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed