SCHEMBL23745966

SCHEMBL23745966

Cc1ccc(CNc2cnc(C(=O)Nc3ccccc3N)cn2)cc1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.83
HDAC3 O15379 4/20 0.83
HDAC2 Q92769 3/20 0.83
NCOR1 O75376 2/20 0.83
HDAC8 Q9BY41 2/20 0.83
HDAC6 Q9UBN7 2/20 0.83
NCOR2 Q9Y618 1/20 0.50

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 0.91 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR1HDAC8
SCHEMBL23745967 0.89 HDAC1 (0.83) HDAC1HDAC3HDAC2NCOR1HDAC8
SCHEMBL23745971 0.88 HDAC1 (0.78) HDAC1HDAC3HDAC2NCOR1HDAC8
SCHEMBL23745964 0.86 HDAC1 (0.78) HDAC1HDAC3HDAC2NCOR1HDAC8
SCHEMBL23745965 0.83 HDAC1 (0.78) HDAC1HDAC3HDAC2NCOR1HDAC8
SCHEMBL23746010 0.83 HDAC1 (0.77) HDAC1HDAC3HDAC2NCOR1HDAC8
SCHEMBL23746011 0.79 HDAC1 (0.71) HDAC1HDAC3HDAC2NCOR1HDAC8
SCHEMBL23746009 0.78 HDAC1 (0.69) HDAC1HDAC3HDAC2NCOR1HDAC8
SCHEMBL27114491 0.78 HDAC1 (0.63) HDAC1HDAC3HDAC2NCOR1HDAC8
SCHEMBL23746025 0.78 HDAC1 (0.76) HDAC1HDAC3HDAC2NCOR1HDAC8

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