SCHEMBL18625973

SCHEMBL18625973

CCC(C)(C)Cn1cc(-c2ccc(N(C)C)cc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC3 O15379 4/20 0.48
HDAC4 P56524 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
APP P05067 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GGPS1 O95749 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRC P12931 1/20 0.37

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
SCHEMBL16263157 0.87 HDAC8 (0.51) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL18625822 0.82 CYP19A1 (0.55) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL16264702 0.82 HDAC8 (0.54) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL18625972 0.80 HDAC8 (0.58) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL19723300 0.78 HDAC8 (0.53) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL19535082 0.77 HDAC8 (0.62) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL18625958 0.75 HDAC8 (0.51) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL18625975 0.75 LGALS3 (0.36) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL18625974 0.74 KDR (0.51) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL22868031 0.73 HDAC8 (0.41) HDAC8HDAC6HDAC3HDAC4HDAC1

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-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 US disclosed