SCHEMBL23746009

SCHEMBL23746009

Nc1ccccc1NC(=O)c1cnc(NCc2cccnn2)cn1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.69
HDAC3 O15379 9/20 0.69
HDAC8 Q9BY41 5/20 0.69
HDAC2 Q92769 5/20 0.69
HDAC6 Q9UBN7 3/20 0.69
NCOR1 O75376 3/20 0.69
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
VNN1 O95497 1/20 0.47
NAMPT P43490 1/20 0.41

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
SCHEMBL23746010 0.83 HDAC1 (0.77) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL23746023 0.82 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL23745966 0.78 HDAC1 (0.83) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL23745967 0.78 HDAC1 (0.83) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL23745965 0.77 HDAC1 (0.78) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL23746011 0.77 HDAC1 (0.71) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL23745971 0.76 HDAC1 (0.78) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL23745964 0.76 HDAC1 (0.78) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL23960881 0.75 HDAC1 (0.69) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL23745954 0.73 HDAC1 (0.68) HDAC1HDAC3HDAC8HDAC2HDAC6

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