SCHEMBL1128993

SCHEMBL1128993

CC(C)(Cl)c1nc2c(F)cccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PARP1 P09874 10/20 0.43
MGAM O43451 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
NPSR1 Q6W5P4 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35

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
SCHEMBL7701680 0.89 GAA (0.47) GAAMEN1KMT2APOLBMAPT
SCHEMBL31569303 0.89 GAA (0.47) GAAMEN1KMT2APOLBMAPT
SCHEMBL17300893 0.88 GAA (0.46) GAAMEN1KMT2APOLBMAPT
SCHEMBL1128496 0.83 MGAM (0.50) GAATDP1PARP1MGAMSI
SCHEMBL1129302 0.75 PARP1 (0.37) MEN1KMT2AL3MBTL1PARP1NPSR1
SCHEMBL5510483 0.75 HRH4 (0.43) GAAMEN1KMT2APOLBMAPT
SCHEMBL14958589 0.74 GAA (0.51) GAAMEN1KMT2APOLBMAPT
SCHEMBL6843925 0.74 NPC1 (0.50) GAAMEN1KMT2APOLBMAPT
SCHEMBL1902643 0.74 PARP1 (0.53) GAAMEN1KMT2APARP1MGAM
SCHEMBL29438962 0.74 PARP1 (0.53) GAAMEN1KMT2APARP1MGAM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282762-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed