SCHEMBL28518541

SCHEMBL28518541

Cc1ccc(-c2cc(C(F)(F)F)n(Cc3ccc(C(=O)NO)cc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 1.00
HDAC6 Q9UBN7 16/20 1.00
HDAC3 O15379 15/20 1.00
HDAC4 P56524 15/20 1.00
HDAC7 Q8WUI4 15/20 1.00
HDAC2 Q92769 15/20 1.00
HDAC10 Q969S8 15/20 1.00
HDAC11 Q96DB2 15/20 1.00
HDAC8 Q9BY41 15/20 1.00
HDAC9 Q9UKV0 15/20 1.00
HDAC5 Q9UQL6 15/20 1.00
NCOR2 Q9Y618 15/20 1.00
KDM1A O60341 2/20 0.53
P2RY14 Q15391 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
SCHEMBL28532676 0.89 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL28177322 0.89 HDAC6 (0.80) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL28534050 0.85 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29110797 0.85 HDAC6 (0.73) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29110784 0.81 HDAC6 (0.68) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29606043 0.81 HDAC6 (0.68) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL28525921 0.81 HDAC6 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29606031 0.81 HDAC6 (0.67) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29110794 0.81 HDAC6 (0.67) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29605818 0.80 HDAC1 (0.66) HDAC1HDAC6HDAC3HDAC4HDAC7

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