SCHEMBL14224360

SCHEMBL14224360

NC[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)C3CCCN3)cc2)cc1)C(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.49
SCN9A Q15858 2/20 0.49
HDAC1 Q13547 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
DHODH Q02127 1/20 0.42
PSMB8 P28062 2/20 0.41
SCN5A Q14524 1/20 0.41
CTSC P53634 2/20 0.40
PFKFB2 O60825 2/20 0.39
PFKFB1 P16118 2/20 0.39
PFKFB3 Q16875 2/20 0.39

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
SCHEMBL10286017 1.00 SCN3A (0.49) SCN3ASCN9AHDAC1HDAC3HDAC4
SCHEMBL1912189 0.97 SCN3A (0.46) SCN3ASCN9AHDAC1HDAC3HDAC4
SCHEMBL14224548 0.97 SCN3A (0.46) SCN3ASCN9AHDAC1HDAC3HDAC4
SCHEMBL404419 0.91 SCN3A (0.43) SCN3ASCN9AHDAC1HDAC3HDAC4
SCHEMBL14196045 0.91 SCN3A (0.43) SCN3ASCN9AHDAC1HDAC3HDAC4
SCHEMBL437072 0.89 ULK1 (0.41) SCN3ASCN9APSMB8CTSCPFKFB2
SCHEMBL14196048 0.89 ULK1 (0.41) SCN3ASCN9APSMB8CTSCPFKFB2
SCHEMBL1109493 0.84 F10 (0.45) CTSCULK1
SCHEMBL1109424 0.82 SCN3A (0.47) SCN3ASCN9AHDAC1HDAC3HDAC4
SCHEMBL13825558 0.82 SCN3A (0.47) SCN3ASCN9AHDAC1HDAC3HDAC4

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
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed