SCHEMBL18082010

SCHEMBL18082010

CS(=O)(=O)CCCN(CCBr)c1c(C(=O)NCCCCCCC(=O)NO)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.44
HDAC6 Q9UBN7 9/20 0.44
HDAC3 O15379 6/20 0.44
HDAC2 Q92769 6/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC4 P56524 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
LTA4H P09960 1/20 0.37
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL18082003 1.00 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7917993 0.91 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7921019 0.89 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7917416 0.89 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12104176 0.82 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3581644 0.80 KMT2A (0.41) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2364444 0.80 KMT2A (0.41) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2354639 0.79 KMT2A (0.42) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3692466 0.78 MEN1 (0.36) MEN1HPGDKMT2ANPSR1
SCHEMBL3568621 0.78 KMT2A (0.43) MEN1HPGDKMT2ANPSR1

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-RE46144-E1 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2016-09-13 US disclosed