SCHEMBL5593004

SCHEMBL5593004

[NH]C(=O)c1ccc(CNC(=O)OCc2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 5/20 0.46
POLB P06746 5/20 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
HDAC1 Q13547 3/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43

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) RAB9ANPC1LMNAHPGDPOLB
SCHEMBL8250477 0.87 RAB9A (0.51) RAB9ANPC1LMNAHPGDPOLB
SCHEMBL5593007 0.87 RAB9A (0.48) RAB9ANPC1LMNAHPGDPOLB
SCHEMBL8248244 0.86 HDAC6 (0.64) RAB9ANPC1LMNAHPGDHDAC8
SCHEMBL13316890 0.85 HDAC6 (0.50) RAB9ANPC1LMNAHPGDPOLB
SCHEMBL8249116 0.83 HDAC1 (0.47) RAB9ANPC1HPGDPOLBMEN1
SCHEMBL8249138 0.83 RAB9A (0.48) RAB9ANPC1LMNAHPGDPOLB
SCHEMBL8246236 0.83 RAB9A (0.51) RAB9ANPC1HPGDPOLBMEN1
SCHEMBL8250856 0.83 RAB9A (0.47) RAB9ANPC1LMNAHPGDPOLB
SCHEMBL8239129 0.83 PLAU (0.46) RAB9ANPC1LMNAHPGDPOLB

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