SCHEMBL28520186

SCHEMBL28520186

O=C(NO)c1ccc(CCn2nc(Cc3ccccc3)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.81
HDAC1 Q13547 15/20 0.62
HDAC8 Q9BY41 14/20 0.62
HDAC11 Q96DB2 13/20 0.62
HDAC2 Q92769 11/20 0.62
HDAC3 O15379 10/20 0.62
HDAC4 P56524 10/20 0.62
HDAC7 Q8WUI4 10/20 0.62
HDAC10 Q969S8 10/20 0.62
HDAC9 Q9UKV0 10/20 0.62
HDAC5 Q9UQL6 10/20 0.62
NCOR2 Q9Y618 10/20 0.62
SMPD1 P17405 1/20 0.48
TP53 P04637 1/20 0.48
MDM2 Q00987 1/20 0.48

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
SCHEMBL28177353 0.87 HDAC6 (0.80) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL28176355 0.86 HDAC6 (0.82) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL28525372 0.84 HDAC6 (0.79) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL28177326 0.83 HDAC6 (0.81) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL28851407 0.82 HDAC6 (0.72) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL28531912 0.77 HDAC6 (0.80) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL29110748 0.76 HDAC6 (0.72) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL29605601 0.76 HDAC6 (0.72) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL28177348 0.75 HDAC6 (0.80) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL28176349 0.74 HDAC6 (0.83) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107445896-A It is a kind of with the benzohydroxamic acid class compound of antitumor activity and its application 沈阳药科大学 2017-12-08 CN claimed
CN-107445896-B Phenyl hydroxamic acid compound with anti-tumor activity and application thereof 沈阳药科大学 2021-03-05 CN disclosed
CN-107445896-A It is a kind of with the benzohydroxamic acid class compound of antitumor activity and its application 沈阳药科大学 2017-12-08 CN disclosed