SCHEMBL8250477

SCHEMBL8250477

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 5/20 0.51
POLB P06746 5/20 0.49
HPGD P15428 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BLM P54132 1/20 0.49
LMNA P02545 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC1 Q13547 2/20 0.45
CYP3A4 P08684 1/20 0.44
HDAC2 Q92769 1/20 0.44

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) RAB9ANPC1POLBHPGDMEN1
SCHEMBL13316890 0.88 HDAC6 (0.50) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL5593004 0.87 RAB9A (0.48) RAB9ANPC1POLBHPGDMEN1
SCHEMBL5593007 0.87 RAB9A (0.48) RAB9ANPC1POLBHPGDMEN1
SCHEMBL8248244 0.86 HDAC6 (0.64) RAB9ANPC1HPGDLMNAHDAC8
SCHEMBL8249116 0.86 HDAC1 (0.47) RAB9ANPC1POLBHPGDMEN1
SCHEMBL8250856 0.85 RAB9A (0.47) RAB9ANPC1POLBHPGDMEN1
SCHEMBL8246236 0.85 RAB9A (0.51) RAB9ANPC1POLBHPGDMEN1
SCHEMBL29627349 0.85 RAB9A (0.69) RAB9ANPC1POLBHPGDMEN1
SCHEMBL8250405 0.83 RAB9A (0.46) RAB9ANPC1POLBHPGDMEN1

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 disclosed