SCHEMBL7998577

SCHEMBL7998577

COc1nc2ccccc2nc1-c1cccc(/C=C/CCCc2nnc(C)o2)c1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
LIPC P11150 2/20 0.30
LIPG Q9Y5X9 2/20 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
SCHEMBL7998444 0.97 L3MBTL1 (0.32) L3MBTL1HDAC1HDAC8HDAC6MTNR1A
SCHEMBL8000609 0.94 L3MBTL1 (0.33) L3MBTL1HDAC1HDAC8HDAC6MTNR1A
SCHEMBL8001035 0.89 L3MBTL1 (0.34) L3MBTL1HDAC1HDAC8HDAC6KDM4E
SCHEMBL8007633 0.84 LIPC (0.31) L3MBTL1HDAC1HDAC8HDAC6LIPC
SCHEMBL7998449 0.83 L3MBTL1 (0.38) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL8008303 0.83 L3MBTL1 (0.38) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL8000641 0.82 L3MBTL1 (0.37) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL8008647 0.82 L3MBTL1 (0.37) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL10292912 0.82 L3MBTL1 (0.32) L3MBTL1
SCHEMBL10292832 0.80 TP53 (0.33) KDM4EALDH1A1GAA

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