SCHEMBL4039804

SCHEMBL4039804

CC(=O)NC(c1cc(Cl)c2cccnc2c1O)c1ccnc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.75
RAB9A P51151 9/20 0.75
HSP90AA1 P07900 2/20 0.75
ALOX12 P18054 6/20 0.69
POLB P06746 3/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
NCOA3 Q9Y6Q9 2/20 0.66
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HTT P42858 1/20 0.63
NCOA1 Q15788 1/20 0.61
TP53 P04637 2/20 0.56
ADAMTS5 Q9UNA0 4/20 0.56
ADAMTS4 O75173 1/20 0.56
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL27790138 0.88 NPC1 (0.80) NPC1RAB9AHSP90AA1ALOX12POLB
SCHEMBL1811300 0.86 NPC1 (1.00) NPC1RAB9AHSP90AA1ALOX12POLB
SCHEMBL4035584 0.85 NPC1 (0.74) NPC1RAB9AHSP90AA1ALOX12POLB
SCHEMBL4045007 0.85 NPC1 (0.78) NPC1RAB9AHSP90AA1ALOX12POLB
SCHEMBL2153129 0.84 RAB9A (0.75) NPC1RAB9AHSP90AA1ALOX12POLB
SCHEMBL1815702 0.83 ADAMTS5 (0.81) ADAMTS5ADAMTS4
SCHEMBL4037950 0.83 NPC1 (0.85) NPC1RAB9AHSP90AA1ALOX12POLB
SCHEMBL27790128 0.83 NPC1 (0.86) NPC1RAB9AHSP90AA1ALOX12POLB
SCHEMBL4035597 0.83 NPC1 (0.86) NPC1RAB9AHSP90AA1ALOX12POLB
SCHEMBL2153766 0.83 NPC1 (0.86) NPC1RAB9AHSP90AA1ALOX12POLB

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