SCHEMBL14224548

SCHEMBL14224548

NC[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)C3CCCCN3)cc2)cc1)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.46
SCN9A Q15858 2/20 0.46
CTSC P53634 3/20 0.43
ULK1 O75385 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CTSK P43235 1/20 0.41
KCNH2 Q12809 1/20 0.41
DHODH Q02127 1/20 0.40
PSMB8 P28062 1/20 0.39
SCN5A Q14524 1/20 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
SCHEMBL1912189 1.00 SCN3A (0.46) SCN3ASCN9ACTSCULK1HDAC1
SCHEMBL10286017 0.97 SCN3A (0.49) SCN3ASCN9ACTSCULK1HDAC1
SCHEMBL14224360 0.97 SCN3A (0.49) SCN3ASCN9ACTSCULK1HDAC1
SCHEMBL437072 0.92 ULK1 (0.41) SCN3ASCN9ACTSCULK1CTSK
SCHEMBL14196048 0.92 ULK1 (0.41) SCN3ASCN9ACTSCULK1CTSK
SCHEMBL404419 0.89 SCN3A (0.43) SCN3ASCN9ACTSCHDAC1HDAC2
SCHEMBL14196045 0.89 SCN3A (0.43) SCN3ASCN9ACTSCHDAC1HDAC2
SCHEMBL13825557 0.82 SCN3A (0.44) SCN3ASCN9ACTSCULK1HDAC1
SCHEMBL10286757 0.82 SCN3A (0.44) SCN3ASCN9ACTSCULK1HDAC1
SCHEMBL10286660 0.82 ADORA2A (0.40) HDAC4HDAC6CHRNB2CHRNB4CHRNA3

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