SCHEMBL4550076

SCHEMBL4550076

O=C(NO)c1ccc2ncn(CCO)c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
MMP13 P45452 4/20 0.49
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SCD O00767 1/20 0.42
TNF P01375 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL10284931 0.90 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2115332 0.83 HDAC3 (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2619365 0.83 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2611208 0.83 HDAC1 (0.48) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2611374 0.83 HDAC1 (0.51) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2611334 0.83 HTT (0.63) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2611271 0.82 HDAC1 (0.51) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2611218 0.81 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL17540006 0.81 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL15832906 0.81 HDAC1 (0.47) HDAC6HDAC1HDAC3HDAC4HDAC7

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-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed