SCHEMBL8000609

SCHEMBL8000609

COc1nc2ccccc2nc1-c1cccc(/C=C/CCc2nnc(C)o2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
POLB P06746 1/20 0.31
LIPC P11150 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7998577 0.94 L3MBTL1 (0.32) L3MBTL1HDAC6HDAC1HDAC8MTNR1A
SCHEMBL7998444 0.93 L3MBTL1 (0.32) L3MBTL1HDAC6HDAC1HDAC8MTNR1A
SCHEMBL8001035 0.91 L3MBTL1 (0.34) L3MBTL1HDAC6HDAC1HDAC8POLB
SCHEMBL10292912 0.87 L3MBTL1 (0.32) L3MBTL1PTK2
SCHEMBL8007633 0.86 LIPC (0.31) L3MBTL1HDAC6HDAC1HDAC8LIPC
SCHEMBL10292908 0.81 ALDH1A1 (0.34) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7998449 0.81 L3MBTL1 (0.38) L3MBTL1MTNR1AMTNR1BPOLBKDM4E
SCHEMBL8008303 0.81 L3MBTL1 (0.38) L3MBTL1MTNR1AMTNR1BPOLBKDM4E
SCHEMBL8008647 0.80 L3MBTL1 (0.37) L3MBTL1MTNR1AMTNR1BPOLBKDM4E
SCHEMBL8000641 0.80 L3MBTL1 (0.37) L3MBTL1MTNR1AMTNR1BPOLBKDM4E

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