SCHEMBL28634425

SCHEMBL28634425

Cc1[nH]c2ccccc2c1CCNCc1ccc(C=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.72
HDAC2 Q92769 16/20 0.72
HDAC3 O15379 16/20 0.72
NCOR2 Q9Y618 12/20 0.72
HDAC8 Q9BY41 5/20 0.72
HDAC6 Q9UBN7 5/20 0.72
HDAC4 P56524 4/20 0.72
HDAC7 Q8WUI4 2/20 0.72
HDAC10 Q969S8 2/20 0.72
HDAC11 Q96DB2 2/20 0.72
HDAC9 Q9UKV0 2/20 0.72
HDAC5 Q9UQL6 2/20 0.72
TET3 O43151 1/20 0.72
BRD4 O60885 1/20 0.72
FOXO1 Q12778 1/20 0.72
TET2 Q6N021 1/20 0.72
PIK3C3 Q8NEB9 1/20 0.72
TET1 Q8NFU7 1/20 0.72
KCNH2 Q12809 1/20 0.55

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
SCHEMBL25696419 0.88 HDAC1 (0.74) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL20061703 0.88 HDAC1 (0.74) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL18414708 0.87 HDAC1 (0.66) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL19806242 0.87 HDAC1 (0.70) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL19160381 0.86 HDAC1 (0.78) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL4349156 0.85 HDAC1 (0.83) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL4349158 0.85 HDAC1 (0.83) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL30255503 0.85 HDAC1 (0.83) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL31087946 0.85 HDAC1 (0.83) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL19806226 0.85 HDAC1 (0.77) HDAC1HDAC2HDAC3NCOR2HDAC8

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-113387866-A Preparation method of panobinostat 山东汇海医药化工有限公司 2021-09-14 CN claimed
CN-113387866-A Preparation method of panobinostat 山东汇海医药化工有限公司 2021-09-14 CN disclosed