SCHEMBL5593007

SCHEMBL5593007

NC(=O)c1ccc(CNC(=O)OCc2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 4/20 0.48
HDAC1 Q13547 3/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 4/20 0.46
PLAU P00749 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
BLM P54132 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL3615851 0.88 LMNA (0.51) RAB9ANPC1POLBHDAC1LMNA
SCHEMBL8239129 0.88 PLAU (0.46) RAB9ANPC1POLBHDAC1LMNA
SCHEMBL8250477 0.87 RAB9A (0.51) RAB9ANPC1POLBHDAC1LMNA
SCHEMBL5593004 0.87 RAB9A (0.48) RAB9ANPC1POLBHDAC1LMNA
SCHEMBL8248244 0.86 HDAC6 (0.64) RAB9ANPC1HDAC1LMNAHPGD
SCHEMBL8246236 0.85 RAB9A (0.51) RAB9ANPC1POLBHDAC1HPGD
SCHEMBL13316890 0.85 HDAC6 (0.50) RAB9ANPC1POLBHDAC1LMNA
SCHEMBL8249116 0.83 HDAC1 (0.47) RAB9ANPC1POLBHDAC1HPGD
SCHEMBL8249138 0.83 RAB9A (0.48) RAB9ANPC1POLBHDAC1LMNA
SCHEMBL8250856 0.83 RAB9A (0.47) RAB9ANPC1POLBHDAC1LMNA

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-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO claimed