SCHEMBL23745970

SCHEMBL23745970

C[C@H](Nc1cnc(C(=O)Nc2ccccc2N)cn1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.61
HDAC1 Q13547 14/20 0.61
HDAC2 Q92769 11/20 0.61
HDAC8 Q9BY41 6/20 0.61
HDAC6 Q9UBN7 3/20 0.61
NCOR1 O75376 3/20 0.61
NCOR2 Q9Y618 7/20 0.56
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
KDM4E B2RXH2 1/20 0.46
ASPH Q12797 1/20 0.46
RIOX2 Q8IUF8 1/20 0.46
KDM8 Q8N371 1/20 0.46
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL23745969 1.00 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23745956 0.88 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23745937 0.85 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23745938 0.82 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23745968 0.81 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23745953 0.80 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23745954 0.79 HDAC1 (0.68) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23746023 0.76 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23745951 0.75 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL27114491 0.72 HDAC1 (0.63) HDAC3HDAC1HDAC2HDAC8HDAC6

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
WO-2021158869-A1 COMPOUNDS, COMPOSITIONS, METHODS FOR TREATING DISEASES AND NERVE DAMAGE, AND METHODS FOR PREPARING COMPOUNDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-08-12 WO disclosed