SCHEMBL4726672

SCHEMBL4726672

O=C(O)N(CCCSCCO)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX5 P09917 4/20 0.44
GAA P10253 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL4528744 0.89 HPGD (0.45) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL4512792 0.86 TAAR1 (0.43) MEN1KMT2ASMN1; SMN2LPAR1LMNA
SCHEMBL23120228 0.84 TDP1 (0.54) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL4730554 0.83 MEN1 (0.44) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL26985835 0.83 TDP1 (0.53) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL4522949 0.83 KMT2A (0.48) TDP1MEN1KMT2AGAAHDAC1
SCHEMBL1181113 0.82 TAAR1 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8989751 0.82 TDP1 (0.43) TDP1KMT2ALMNA
SCHEMBL4519273 0.82 LTB4R (0.41) NPC1RAB9AKMT2AALOX5SMN1; SMN2
SCHEMBL4524217 0.82 L3MBTL1 (0.41) TDP1NPC1RAB9AMEN1KMT2A

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-2008041914-A1 5-(2-AMINO-L-HYDROXYETHYL)-8-HYDROXY-2-OXOQUINOLINE DERIVATIVES AND OTHER COMPOUNDS AS β2 -ADRENERGIC AGONISTS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed