SCHEMBL23745955

SCHEMBL23745955

Nc1ccccc1NC(=O)c1ccc(NCc2ccccc2)cn1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.72
HDAC3 O15379 14/20 0.72
HDAC2 Q92769 9/20 0.72
HDAC8 Q9BY41 7/20 0.72
HDAC6 Q9UBN7 3/20 0.72
NCOR1 O75376 2/20 0.72
HDAC10 Q969S8 3/20 0.64
HDAC11 Q96DB2 2/20 0.64
NCOR2 Q9Y618 2/20 0.62
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
P4HTM Q9NXG6 1/20 0.52

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) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5584503 0.82 HDAC1 (0.72) HDAC1HDAC3HDAC2NCOR2
SCHEMBL22874432 0.82 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL23746024 0.82 HDAC1 (0.90) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL20128319 0.81 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13713672 0.81 HDAC1 (0.74) HDAC1HDAC3HDAC2NCOR2
SCHEMBL23745952 0.81 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL11398234 0.80 P4HTM (0.78) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL213540 0.78 HDAC1 (0.73) HDAC1HDAC3HDAC2NCOR2
SCHEMBL23745967 0.78 HDAC1 (0.83) HDAC1HDAC3HDAC2HDAC8HDAC6

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