SCHEMBL4044274

SCHEMBL4044274

COc1ncccc1-c1cc(Cl)c2cccnc2c1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
HIF1A Q16665 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 7/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALOX12 P18054 4/20 0.40
KMT2A Q03164 4/20 0.40
HSP90AA1 P07900 3/20 0.40
MMP14 P50281 3/20 0.40
MEN1 O00255 3/20 0.40
CYP3A4 P08684 3/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 2/20 0.40
SLC6A2 P23975 2/20 0.40
OPRK1 P41145 2/20 0.40

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
SCHEMBL4455362 0.90 L3MBTL1 (0.53) L3MBTL1CCR1CCR8HIF1AKDM4E
SCHEMBL13625120 0.87 NPC1 (0.45) L3MBTL1CCR1CCR8HIF1AKDM4E
SCHEMBL13625137 0.84 L3MBTL1 (0.44) L3MBTL1CCR1CCR8HIF1AKDM4E
SCHEMBL13625111 0.83 KDM4E (0.44) L3MBTL1CCR1CCR8HIF1AKDM4E
SCHEMBL13625108 0.82 KMT2A (0.44) L3MBTL1CCR1CCR8HIF1AKDM4E
SCHEMBL4457946 0.81 L3MBTL1 (0.47) L3MBTL1CCR1CCR8HIF1AKDM4E
SCHEMBL13625109 0.80 PDE4A (0.46) L3MBTL1CCR1CCR8KDM4EMAPT
SCHEMBL13625126 0.80 HSD11B1 (0.45) L3MBTL1CCR1CCR8HIF1AKDM4E
SCHEMBL13625138 0.80 HIF1A (0.41) L3MBTL1CCR1CCR8HIF1AKDM4E
SCHEMBL4036371 0.80 KMT2A (0.57) L3MBTL1CCR1CCR8HIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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