SCHEMBL4044936

SCHEMBL4044936

COc1ccc(C(NC(=O)CN(C)C)c2cc(Cl)c3cccnc3c2O)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.82
RAB9A P51151 5/20 0.82
KMT2A Q03164 4/20 0.82
MEN1 O00255 3/20 0.82
HTT P42858 3/20 0.82
KDM4E B2RXH2 4/20 0.81
SMN1; SMN2 Q16637 3/20 0.81
LMNA P02545 3/20 0.81
TDP1 Q9NUW8 2/20 0.81
MITF O75030 1/20 0.81
HSP90AA1 P07900 1/20 0.81
L3MBTL1 Q9Y468 2/20 0.69
MCL1 Q07820 1/20 0.65
ADAMTS5 Q9UNA0 9/20 0.64
ALOX12 P18054 3/20 0.61
TP53 P04637 1/20 0.59

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
SCHEMBL608538 0.90 NPC1 (1.00) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL15783174 0.89 RAB9A (1.00) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL2153027 0.87 NPC1 (1.00) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL4044460 0.87 NPC1 (0.81) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL1811921 0.86 ADAMTS5 (0.82) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL609111 0.85 RAB9A (0.82) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL4036839 0.84 LMNA (0.85) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL4034263 0.84 NPC1 (0.80) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL4043428 0.83 NPC1 (0.78) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL1816178 0.82 NPC1 (0.73) NPC1RAB9AKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP claimed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO claimed
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed