SCHEMBL4037863

SCHEMBL4037863

CC(=O)NC(Cc1ccccc1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.69
RAB9A P51151 10/20 0.69
NPC1 O15118 9/20 0.69
HSP90AA1 P07900 3/20 0.69
ALOX12 P18054 5/20 0.66
NCOA3 Q9Y6Q9 2/20 0.66
NCOA1 Q15788 1/20 0.61
POLB P06746 1/20 0.60
KMT2A Q03164 3/20 0.57
ADAMTS5 Q9UNA0 6/20 0.56
MEN1 O00255 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL5090176 0.91 RAB9A (0.59) L3MBTL1RAB9ANPC1HSP90AA1ALOX12
SCHEMBL4037903 0.82 L3MBTL1 (1.00) L3MBTL1RAB9ANPC1HSP90AA1ALOX12
SCHEMBL1811300 0.81 NPC1 (1.00) L3MBTL1RAB9ANPC1HSP90AA1ALOX12
SCHEMBL2598259 0.80 NPC1 (1.00) L3MBTL1RAB9ANPC1HSP90AA1ALOX12
SCHEMBL27790138 0.79 NPC1 (0.80) L3MBTL1RAB9ANPC1HSP90AA1ALOX12
SCHEMBL4045007 0.78 NPC1 (0.78) L3MBTL1RAB9ANPC1HSP90AA1ALOX12
SCHEMBL1814115 0.77 ADAMTS5 (0.56) L3MBTL1RAB9ANPC1HSP90AA1ALOX12
SCHEMBL4039804 0.77 NPC1 (0.75) L3MBTL1RAB9ANPC1HSP90AA1ALOX12
SCHEMBL27768652 0.76 NPC1 (0.78) L3MBTL1RAB9ANPC1HSP90AA1ALOX12
SCHEMBL4035597 0.76 NPC1 (0.86) L3MBTL1RAB9ANPC1HSP90AA1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 CN claimed
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
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 CN disclosed
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