SCHEMBL28536299

SCHEMBL28536299

Cc1ccc(-c2cc(C)nn2Cc2ccc(C(=O)NO)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 1.00
HDAC1 Q13547 17/20 1.00
HDAC3 O15379 14/20 1.00
HDAC4 P56524 14/20 1.00
HDAC7 Q8WUI4 14/20 1.00
HDAC2 Q92769 14/20 1.00
HDAC10 Q969S8 14/20 1.00
HDAC11 Q96DB2 14/20 1.00
HDAC8 Q9BY41 14/20 1.00
HDAC9 Q9UKV0 14/20 1.00
HDAC5 Q9UQL6 14/20 1.00
NCOR2 Q9Y618 14/20 1.00
KDM1A O60341 1/20 0.53
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL24754549 0.90 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL28176352 0.90 HDAC6 (0.82) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL28525921 0.85 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL28534050 0.81 HDAC1 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL28525372 0.79 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29110811 0.78 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29606677 0.78 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL3489688 0.77 HDAC6 (0.67) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL28518541 0.77 HDAC1 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29110781 0.77 HDAC1 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107445896-B Phenyl hydroxamic acid compound with anti-tumor activity and application thereof 沈阳药科大学 2021-03-05 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