SCHEMBL8000613

SCHEMBL8000613

COc1nc2ccccc2nc1-c1cccc(/C=C/CC(C)(C)c2csc(C)n2)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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

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
SCHEMBL8005068 0.86 L3MBTL1 (0.31) L3MBTL1KDM4EALDH1A1
SCHEMBL7998537 0.82 L3MBTL1 (0.34) L3MBTL1KDM4EALDH1A1LMNAADORA3
SCHEMBL8000644 0.82 L3MBTL1 (0.32) L3MBTL1KDM4EALDH1A1LMNAGAA
SCHEMBL7999178 0.82 L3MBTL1 (0.33) L3MBTL1KDM4EALDH1A1LMNAGAA
SCHEMBL8010267 0.80 HDAC1 (0.33) KDM4EALDH1A1
SCHEMBL10292753 0.79 KDM4E (0.31) KDM4EALDH1A1LMNAGAA
SCHEMBL8008226 0.79 PKM (0.32) L3MBTL1KDM4EALDH1A1GAAADORA3
SCHEMBL8009977 0.78 L3MBTL1 (0.34) L3MBTL1KDM4EALDH1A1LMNAGAA
SCHEMBL8007633 0.76 LIPC (0.31) L3MBTL1
SCHEMBL10293206 0.72 SLC6A3 (0.33) L3MBTL1KDM4EALDH1A1ADORA3MAOB

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