SCHEMBL24716805

SCHEMBL24716805

OC1(c2csc(Br)n2)CC1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL10079151 0.84 EGFR (0.34) —
SCHEMBL10057666 0.80 CYP2D6 (0.35) —
SCHEMBL22490785 0.72 PDE5A (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22490815 0.69 HDAC1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21044072 0.65 HDAC1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22869122 0.63 PDE5A (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14291839 0.61 — —
SCHEMBL67456 0.59 — —
SCHEMBL17775918 0.59 DRD2 (0.37) —
SCHEMBL23232310 0.57 SMN1; SMN2 (0.38) HDAC6

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-2022257894-A1 P300 INHIBITOR AND PHARMACEUTICAL USE THEREOF 贝达药业股份有限公司 2022-12-15 — — WO disclosed
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