SCHEMBL4745138

SCHEMBL4745138

Cc1cc(O)c2cc(Cl)cc(Cl)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 3/20 0.42
NR4A2 P43354 2/20 0.41
HTT P42858 1/20 0.41
CRHR1 P34998 3/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL4744678 0.82 CRHR1 (0.50) KMT2AMEN1MAPTNR4A2HTT
SCHEMBL11386180 0.81 ALDH1A1 (0.40) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL437497 0.78 NR4A2 (0.62) KMT2AMEN1MAPTNR4A2HTT
SCHEMBL1026984 0.76 NR4A2 (0.65) MAPTNR4A2CRHR1L3MBTL1CYP3A4
SCHEMBL10969359 0.74 CYP1A2 (0.43) KMT2AMEN1HTTALDH1A1TSHR
SCHEMBL4768328 0.73 MAPT (0.49) KMT2AMEN1MAPTNR4A2HTT
SCHEMBL3799140 0.71 OPRK1 (0.50) KMT2AMAPTNR4A2HTTALDH1A1
SCHEMBL5250469 0.71 CRHR1 (0.77) MAPTNR4A2CRHR1L3MBTL1HSP90AA1
SCHEMBL9680093 0.70 BCHE (0.37) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL10435140 0.70 MAPT (0.39) KMT2AMEN1MAPTNR4A2HTT

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
WO-2008117079-A1 ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE HELPERBY THERAPEUTICS LIMITED (GB) 2008-10-02 WO disclosed