SCHEMBL8009977

SCHEMBL8009977

COc1nc2ccccc2nc1-c1cccc(CCCC(C)(C)c2csc(C)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.34
PRMT6 Q96LA8 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HCRTR1 O43613 5/20 0.32
HCRTR2 O43614 5/20 0.32
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR7 P34969 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
SCHEMBL8005737 0.86 L3MBTL1 (0.34) L3MBTL1PRMT6KDM4EALDH1A1LMNA
SCHEMBL7998450 0.83 L3MBTL1 (0.38) L3MBTL1PRMT6KDM4EALDH1A1LMNA
SCHEMBL8009767 0.83 L3MBTL1 (0.38) L3MBTL1PRMT6KDM4EALDH1A1LMNA
SCHEMBL8009521 0.82 L3MBTL1 (0.37) L3MBTL1PRMT6KDM4EALDH1A1LMNA
SCHEMBL7999116 0.82 L3MBTL1 (0.37) L3MBTL1PRMT6KDM4EALDH1A1LMNA
SCHEMBL10293333 0.80 MAPK14 (0.33) KDM4ELMNA
SCHEMBL10260261 0.80 NAMPT (0.32) MAPT
SCHEMBL7998573 0.79 PRMT6 (0.36) PRMT6ALDH1A1LMNAHCRTR1HCRTR2
SCHEMBL10293179 0.79 KDM4E (0.31) KDM4ELMNA
SCHEMBL8000613 0.78 L3MBTL1 (0.32) L3MBTL1KDM4EALDH1A1LMNAGAA

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