SCHEMBL5879632

SCHEMBL5879632

NCc1ccc(NC(=O)CCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.75
HTT P42858 1/20 0.75
GAA P10253 2/20 0.69
HDAC3 O15379 2/20 0.67
HDAC4 P56524 2/20 0.67
HDAC1 Q13547 2/20 0.67
HDAC7 Q8WUI4 2/20 0.67
HDAC2 Q92769 2/20 0.67
HDAC10 Q969S8 2/20 0.67
HDAC11 Q96DB2 2/20 0.67
HDAC8 Q9BY41 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
HDAC9 Q9UKV0 2/20 0.67
HDAC5 Q9UQL6 2/20 0.67
TSHR P16473 1/20 0.67
LMNA P02545 1/20 0.65
RAB9A P51151 1/20 0.64
KDM1A O60341 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL3061430 0.86 MAPT (1.00) MAPTHTTGAAHDAC3HDAC4
SCHEMBL10198474 0.85 MAPT (0.77) MAPTHTTGAAHDAC3HDAC4
SCHEMBL18421284 0.85 MAPT (0.77) MAPTHTTGAAHDAC3HDAC4
Hydrochloric Acid SCHEMBL27689202 0.84 MAPT (0.96) MAPTHTTGAAHDAC3HDAC4
SCHEMBL11705109 0.83 TRPV1 (0.82) MAPTHTTGAAHDAC3HDAC4
SCHEMBL27671467 0.83 MAPT (0.86) MAPTHTTGAAHDAC3HDAC4
SCHEMBL27507480 0.83 EPHX2 (0.73) MAPTGAAHDAC3HDAC4HDAC1
SCHEMBL13356363 0.83 MAPT (0.80) MAPTHTTGAAHDAC3HDAC4
Methyl Alcohol SCHEMBL4593446 0.83 MAPT (0.93) MAPTHTTGAAHDAC3HDAC4
SCHEMBL2003074 0.82 MAPT (0.77) MAPTHTTGAAHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101273016-B Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV 2013-01-02 CN disclosed
CN-101252928-B Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV 2012-05-23 CN disclosed
CN-101273016-A Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 CN disclosed
CN-101252928-A Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2008-08-27 CN disclosed
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed
EP-1202988-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 EP disclosed
WO-2001010847-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2001-02-15 WO disclosed