SCHEMBL23745951

SCHEMBL23745951

Nc1ccccc1NC(=O)c1cnc(NC(=O)Cc2ccccc2)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.73
HDAC1 Q13547 14/20 0.73
HDAC8 Q9BY41 9/20 0.73
HDAC2 Q92769 9/20 0.73
HDAC6 Q9UBN7 5/20 0.73
NCOR1 O75376 3/20 0.73
NCOR2 Q9Y618 2/20 0.57
HDAC10 Q969S8 4/20 0.56
HDAC11 Q96DB2 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
DEGS1 O15121 1/20 0.51
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 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
SCHEMBL23746023 0.84 HDAC1 (1.00) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL23745954 0.83 HDAC1 (0.68) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL8609928 0.79 HPGD (0.65) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL23745938 0.79 HDAC3 (0.63) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL23745968 0.78 HDAC3 (0.61) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL23745956 0.77 HDAC3 (0.64) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL23745937 0.77 HDAC3 (0.60) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL23745953 0.77 HDAC3 (0.76) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL23746010 0.76 HDAC1 (0.77) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL23745966 0.76 HDAC1 (0.83) HDAC3HDAC1HDAC8HDAC2HDAC6

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