SCHEMBL8291370

SCHEMBL8291370

CCCn1c(CC(C)C)nc2cc(CCC(=O)NO)ccc21

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.81
HDAC8 Q9BY41 7/20 0.81
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX5 P09917 1/20 0.43
ALOX5AP P20292 1/20 0.43
LTC4S Q16873 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL3367519 0.90 HDAC1 (1.00) HDAC1HDAC8MEN1LMNAKMT2A
SCHEMBL19185917 0.85 HDAC1 (0.72) HDAC1HDAC8MEN1LMNAKMT2A
SCHEMBL12560856 0.79 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL12561026 0.78 HDAC1 (0.65) HDAC1HDAC8LMNAHDAC3HDAC4
SCHEMBL23192217 0.78 HDAC1 (0.65) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3369926 0.77 HDAC1 (0.78) HDAC1HDAC8MEN1LMNAKMT2A
SCHEMBL19185706 0.76 HDAC1 (0.56) HDAC1HDAC8MEN1LMNAKMT2A
SCHEMBL10298792 0.75 MEN1 (0.49) HDAC1HDAC8MEN1LMNAKMT2A
SCHEMBL19185684 0.73 HDAC1 (0.55) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL13118138 0.73 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2

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-2005028447-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-03-31 WO disclosed