SCHEMBL1128906

SCHEMBL1128906

CC(C)c1cc(F)cc2[nH]c(Cl)nc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SSTR5 P35346 1/20 0.32
EIF4A3 P38919 2/20 0.32
HTT P42858 1/20 0.31
GCGR P47871 1/20 0.31
LMNA P02545 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
SCHEMBL1129035 0.81 HTT (0.35) NPC1RAB9AHTTLMNA
SCHEMBL20919865 0.77 EGLN1 (0.41) NPC1RAB9ASSTR5HTT
SCHEMBL7886419 0.74 EGLN1 (0.44) NPC1RAB9AHTT
SCHEMBL1128996 0.73 NPC1 (0.44) NPC1RAB9AEIF4A3GCGRLMNA
SCHEMBL1128920 0.72 NPC1 (0.46) NPC1RAB9ALMNA
SCHEMBL14445627 0.69 EIF4A3 (0.30) EIF4A3
SCHEMBL12110225 0.69 ACLY (0.35) HTTLMNA
SCHEMBL16364071 0.68 KDM4E (0.40)
SCHEMBL1128497 0.68 NPC1 (0.45) NPC1RAB9ALMNA
SCHEMBL26203728 0.67 GABRA1 (0.41) EIF4A3LMNA

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