SCHEMBL7998450

SCHEMBL7998450

COc1nc2ccccc2nc1-c1cccc(CCCCc2csc(C)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
PRMT6 Q96LA8 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.33
BACE1 P56817 1/20 0.33
HTT P42858 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL7999116 0.99 L3MBTL1 (0.37) L3MBTL1PRMT6MAPTKDM4EALDH1A1
SCHEMBL8009521 0.99 L3MBTL1 (0.37) L3MBTL1PRMT6MAPTKDM4EALDH1A1
SCHEMBL8009767 0.98 L3MBTL1 (0.38) L3MBTL1PRMT6MAPTKDM4EALDH1A1
SCHEMBL8005737 0.88 L3MBTL1 (0.34) L3MBTL1PRMT6MAPTKDM4EALDH1A1
SCHEMBL8008226 0.84 PKM (0.32) L3MBTL1MAPTKDM4EALDH1A1PKM
SCHEMBL8009977 0.83 L3MBTL1 (0.34) L3MBTL1PRMT6MAPTKDM4EALDH1A1
SCHEMBL8000644 0.83 L3MBTL1 (0.32) L3MBTL1MAPTKDM4EALDH1A1LMNA
SCHEMBL7999178 0.81 L3MBTL1 (0.33) L3MBTL1MAPTKDM4EALDH1A1LMNA
SCHEMBL10292916 0.78 HRH4 (0.36) MAPTALDH1A1POLBSLC6A3GAA
SCHEMBL10260578 0.78 SLC6A3 (0.34) L3MBTL1MAPTSLC6A3

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