SCHEMBL6917461

SCHEMBL6917461

O=C(NO)c1ccc(CNC(=O)c2ccc[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
LMNA P02545 1/20 0.69
HDAC6 Q9UBN7 12/20 0.63
HDAC1 Q13547 7/20 0.63
HDAC8 Q9BY41 9/20 0.60
HDAC2 Q92769 5/20 0.60
HDAC3 O15379 6/20 0.58
HDAC4 P56524 5/20 0.58
HDAC7 Q8WUI4 5/20 0.58
HDAC11 Q96DB2 5/20 0.58
HDAC9 Q9UKV0 5/20 0.58
HDAC5 Q9UQL6 5/20 0.58
HDAC10 Q969S8 4/20 0.58
GAA P10253 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL2576103 0.83 KDM4E (0.74) KDM4ELMNAHDAC6HDAC8HDAC2
SCHEMBL4961237 0.82 LMNA (1.00) KDM4ELMNAGAAPOLB
SCHEMBL15873902 0.82 KDM4E (0.73) KDM4ELMNAHDAC6HDAC1HDAC8
SCHEMBL2414816 0.79 HDAC2 (0.66) KDM4EHDAC6HDAC1HDAC8HDAC2
SCHEMBL3339441 0.78 KDM4E (0.72) KDM4ELMNAGAA
SCHEMBL16740571 0.78 KDM4E (0.72) KDM4ELMNAHDAC6HDAC1HDAC8
SCHEMBL29191107 0.78 KDM4E (0.68) KDM4ELMNAHDAC6HDAC1HDAC8
SCHEMBL447806 0.78 NPC1 (0.55) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL2829167 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL5204640 0.77

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-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed