SCHEMBL28041716

SCHEMBL28041716

O=C(NO)C(c1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.59
HDAC4 P56524 5/20 0.59
HDAC7 Q8WUI4 5/20 0.59
HDAC5 Q9UQL6 5/20 0.59
HDAC3 O15379 3/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC10 Q969S8 3/20 0.59
HDAC11 Q96DB2 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC9 Q9UKV0 3/20 0.59
MGAM O43451 1/20 0.44
S1PR3 Q99500 1/20 0.43
CSNK1D P48730 1/20 0.43
CTSD P07339 1/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4289764 0.84 MGAM (0.49) HDAC8MGAMS1PR3CSNK1DRAB9A
SCHEMBL20490406 0.76 SMN1; SMN2 (0.67) HDAC8HDAC4HDAC7HDAC5HDAC3
SCHEMBL2839032 0.76 HDAC4 (1.00) HDAC8HDAC4HDAC7HDAC5HDAC3
SCHEMBL29858224 0.72 KDM4E (0.53) MGAMS1PR3RAB9ANFKB1NFKB2
SCHEMBL19407337 0.72 KDM4E (0.53) MGAMS1PR3RAB9ANFKB1NFKB2
SCHEMBL7831425 0.72 HDAC1 (0.54) HDAC8HDAC4HDAC7HDAC5HDAC3
SCHEMBL12915380 0.71 S1PR3 (0.49) MGAMS1PR3RAB9ASMN1; SMN2NPC1
SCHEMBL13898572 0.71 S1PR3 (0.40) HDAC8HDAC1HDAC2S1PR3GAA
SCHEMBL7831129 0.71 HDAC1 (0.56) HDAC8HDAC4HDAC7HDAC5HDAC3
SCHEMBL2840140 0.71 CSNK1D (0.60) HDAC8HDAC4HDAC7HDAC5HDAC3

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
CN-103958475-B Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases F. HOFFMANN-LA ROCHE AG (CH) 2015-11-25 CN claimed