SCHEMBL883889

SCHEMBL883889

CNC(=O)c1cc(C)nc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PLK1 P53350 3/20 0.39
PLAU P00749 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP13 P45452 1/20 0.37
MAPT P10636 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8568255 0.88 HDAC8 (0.45) BRD4HDAC8HDAC6HDAC2ALDH1A1
SCHEMBL30737501 0.79 SLC6A3 (0.43) BRD4HDAC8HDAC6HDAC2ALDH1A1
SCHEMBL12852650 0.79 NOS3 (0.52) BRD4HDAC8HDAC6HDAC2ALDH1A1
SCHEMBL21383742 0.79 SLC6A3 (0.43) BRD4HDAC8HDAC6HDAC2ALDH1A1
SCHEMBL2714624 0.78 CA5A (0.48) HPGDTSHRHTTSMN1; SMN2MAPT
SCHEMBL2085141 0.78 TPMT (0.48) ALDH1A1HPGDTSHRHTTSMN1; SMN2
SCHEMBL6362050 0.78 POLB (0.50) ALDH1A1POLBHPGDSMN1; SMN2KMT2A
SCHEMBL21326545 0.77 CA12 (0.53) ALDH1A1POLBHPGDTSHRHTT
SCHEMBL30015842 0.77 CA12 (0.53) ALDH1A1POLBHPGDTSHRHTT
SCHEMBL20888506 0.77 PLAU (0.39) BRD4HDAC8HDAC6HDAC2PLK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed