SCHEMBL10140598

SCHEMBL10140598

CC(C)c1ccc(-c2ccc(I)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.36
METAP2 P50579 1/20 0.33
NAAA Q02083 1/20 0.32
CHRNA7 P36544 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL888893 0.87 CHRNA7 (0.36) NAAACHRNA7EGLN1
SCHEMBL12413864 0.83 CHRNA7 (0.34) CHRNA7
SCHEMBL31698306 0.83 CHRNA7 (0.34) CHRNA7
SCHEMBL890116 0.82 NPC1 (0.39) METAP2EGLN1
SCHEMBL5018725 0.82 NPC1 (0.45) CHRNA7
SCHEMBL889387 0.82 EGLN1 (0.44) EGLN1
SCHEMBL2609367 0.80 LTA4H (0.43) EGLN1
SCHEMBL22184930 0.80 GPR55 (0.40)
SCHEMBL26971204 0.80 MAPT (0.44)
SCHEMBL10313050 0.78 HPGDS (0.43) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed