SCHEMBL28519475

SCHEMBL28519475

COC(=O)c1ccc(Cn2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.77
HDAC4 P56524 7/20 0.77
HDAC1 Q13547 7/20 0.77
HDAC7 Q8WUI4 7/20 0.77
HDAC2 Q92769 7/20 0.77
HDAC10 Q969S8 7/20 0.77
HDAC11 Q96DB2 7/20 0.77
HDAC8 Q9BY41 7/20 0.77
HDAC6 Q9UBN7 7/20 0.77
HDAC9 Q9UKV0 7/20 0.77
HDAC5 Q9UQL6 7/20 0.77
NCOR2 Q9Y618 7/20 0.77
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
P2RY14 Q15391 1/20 0.46
FAAH O00519 1/20 0.46
GCGR P47871 2/20 0.46

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
SCHEMBL28525921 0.87 HDAC6 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29110747 0.84 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28524889 0.82 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28534046 0.76 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28850918 0.76 HDAC6 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28177328 0.76 HDAC6 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1595098 0.74 HDAC6 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3631892 0.74 GAA (0.57) GAARAB9AMEN1KMT2APOLB
SCHEMBL3630181 0.74 GAA (0.57) GAARAB9AMEN1KMT2APOLB
SCHEMBL27768342 0.72 CYP11B1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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