SCHEMBL4037379

SCHEMBL4037379

CC(=O)NCc1ccc2cccnc2c1O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
EGLN1 Q9GZT9 11/20 0.53
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HSP90AA1 P07900 3/20 0.48
PAX8 Q06710 3/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BCHE P06276 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL11770828 0.87 EGLN1 (0.49) L3MBTL1EGLN1ALDH1A1NPC1RAB9A
SCHEMBL14414488 0.82 EGLN1 (0.51) L3MBTL1EGLN1ALDH1A1HSP90AA1KDM4E
SCHEMBL9310765 0.80 ALDH1A1 (0.56) L3MBTL1EGLN1ALDH1A1NPC1RAB9A
SCHEMBL12722433 0.79 CTSB (0.53) L3MBTL1EGLN1ALDH1A1HSP90AA1KDM4E
SCHEMBL11955296 0.77 BCHE (0.48) L3MBTL1EGLN1ALDH1A1NPC1RAB9A
SCHEMBL14775942 0.76 EGLN1 (0.51) L3MBTL1EGLN1ALDH1A1NPC1RAB9A
SCHEMBL19323057 0.75 L3MBTL1 (0.55) L3MBTL1NPC1RAB9AKDM4ELMNA
SCHEMBL8342736 0.75 MMP2 (0.55) L3MBTL1EGLN1ALDH1A1NPC1RAB9A
SCHEMBL1714944 0.74 BCHE (0.49) L3MBTL1EGLN1ALDH1A1NPC1RAB9A
SCHEMBL11967425 0.74 TERT (0.52) L3MBTL1EGLN1ALDH1A1HSP90AA1KDM4E

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