SCHEMBL8000644

SCHEMBL8000644

COc1nc2ccccc2nc1-c1cccc(/C=C/CCCc2csc(C)n2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 3/20 0.31
SLC6A3 Q01959 1/20 0.31
CHEK1 O14757 1/20 0.31
GAA P10253 2/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
MAOB P27338 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL8008226 0.97 PKM (0.32) L3MBTL1PKMSMN1; SMN2MAPTSLC6A3
SCHEMBL7999178 0.94 L3MBTL1 (0.33) L3MBTL1PKMSMN1; SMN2MAPTSLC6A3
SCHEMBL7998537 0.89 L3MBTL1 (0.34) L3MBTL1MAPTSLC6A3CHEK1KDM4E
SCHEMBL8005068 0.85 L3MBTL1 (0.31) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL8009767 0.83 L3MBTL1 (0.38) L3MBTL1PKMSMN1; SMN2MAPTSLC6A3
SCHEMBL7998450 0.83 L3MBTL1 (0.38) L3MBTL1PKMSMN1; SMN2MAPTSLC6A3
SCHEMBL7999116 0.82 L3MBTL1 (0.37) L3MBTL1PKMSMN1; SMN2MAPTSLC6A3
SCHEMBL8009521 0.82 L3MBTL1 (0.37) L3MBTL1PKMSMN1; SMN2MAPTSLC6A3
SCHEMBL10293206 0.82 SLC6A3 (0.33) L3MBTL1MAPTSLC6A3KDM4EALDH1A1
SCHEMBL8000613 0.82 L3MBTL1 (0.32) L3MBTL1GAAKDM4EALDH1A1LMNA

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