SCHEMBL28041453

SCHEMBL28041453

NCc1cccc(NC(=O)CCl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
CFD P00746 1/20 0.58
MITF O75030 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HTT P42858 4/20 0.55
MAPK1 P28482 2/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.47
NOD2 Q9HC29 1/20 0.47
JAK3 P52333 2/20 0.46
AURKB Q96GD4 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 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
SCHEMBL8030342 0.85 CFD (0.60) CFDMAPK1MAPTGAAAURKB
SCHEMBL2636652 0.85 NPSR1 (0.61) NPSR1MITFALDH1A1HTTMAPK1
SCHEMBL11802189 0.84 ALDH1A1 (0.67) NPSR1MITFALDH1A1HTTMAPK1
SCHEMBL4003071 0.83 MAPT (0.66) NPSR1MITFALDH1A1HTTMAPK1
SCHEMBL27641823 0.83 CFD (0.58) CFDMAPK1MAPTGAAAURKB
SCHEMBL4599573 0.83 RAB9A (0.63) CFDALDH1A1MAPK1POLBMAPT
SCHEMBL27580045 0.82 NPC1 (0.59) NPSR1MITFALDH1A1HTTMAPT
SCHEMBL4007324 0.82 NPSR1 (0.66) NPSR1MITFALDH1A1HTTMAPK1
SCHEMBL27822593 0.82 CFD (0.83) NPSR1CFDALDH1A1HTTMAPK1
SCHEMBL3003205 0.81 CFD (0.59) CFDMAPTGAASMN1; SMN2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105237474-A Preparation method and application of 6-hydroxy-7-arylformylquinolinone compounds UNIV SHENYANG PHARMACEUTICAL 2016-01-13 CN disclosed