SCHEMBL27475773

SCHEMBL27475773

COC(=O)Cc1ccc2ccn(Cc3ccccc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 6/20 0.62
▸ HDAC6 Q9UBN7 5/20 0.53
▸ HDAC1 Q13547 4/20 0.53
▸ HDAC2 Q92769 4/20 0.53
▸ HDAC10 Q969S8 4/20 0.53
▸ HDAC9 Q9UKV0 3/20 0.53
▸ HDAC11 Q96DB2 3/20 0.53
▸ HDAC3 O15379 3/20 0.53
▸ HDAC4 P56524 2/20 0.53
▸ HDAC7 Q8WUI4 2/20 0.53
▸ HDAC5 Q9UQL6 2/20 0.53
▸ NCOR2 Q9Y618 1/20 0.53
▸ HPGD P15428 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ BACE1 P56817 2/20 0.51
▸ HTR6 P50406 1/20 0.48
▸ APP P05067 2/20 0.47
▸ SNCA P37840 2/20 0.47
▸ BRD4 O60885 2/20 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
SCHEMBL6087475 0.85 HDAC8 (0.61) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL8387304 0.85 HDAC8 (0.55) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL12404142 0.85 HDAC8 (0.51) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL9371461 0.83 HDAC8 (0.53) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL8388013 0.82 HDAC8 (0.48) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL23982987 0.81 HPGD (0.55) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL8685995 0.81 HDAC8 (0.60) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL11974977 0.80 HDAC8 (0.76) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL11976844 0.79 HTR6 (0.56) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL11977068 0.78 HDAC8 (0.60) HDAC8HDAC6HDAC1HDAC2HDAC10

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
CN-1166169-A Heterocyclic compounds, useful as allosteric effectors at muscarinic receptors SANKYO CO (JP) 1997-11-26 — — CN disclosed
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