SCHEMBL10284846

SCHEMBL10284846

CC(C)(N)c1nc2cc(C(=O)NO)ccc2c(=O)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.46
▸ HDAC1 Q13547 5/20 0.46
▸ HDAC8 Q9BY41 5/20 0.46
▸ HDAC11 Q96DB2 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ APP P05067 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ HTT P42858 1/20 0.39

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
SCHEMBL2117378 0.80 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL2119872 0.72 HDAC8 (0.46) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL17936605 0.69 PDE7A (0.56) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL2116566 0.69 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL7762374 0.69 PDE7A (0.58) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL2119122 0.69 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL4550115 0.69 RXFP1 (0.69) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL2119910 0.68 ALDH1A1 (0.62) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL2611261 0.68 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL31542055 0.68 NPC1 (0.70) HDAC6HDAC1HDAC8HDAC11HDAC2

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
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