SCHEMBL27475781

SCHEMBL27475781

C=C(C)C(=O)Oc1ccc2ccn(Cc3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.47
▸ HDAC11 Q96DB2 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47
▸ BACE1 P56817 2/20 0.46
▸ HTR6 P50406 1/20 0.45
▸ ELANE P08246 1/20 0.45
▸ BRD4 O60885 2/20 0.45
▸ APP P05067 3/20 0.45
▸ SNCA P37840 3/20 0.45
▸ KDM4C Q9H3R0 1/20 0.44
▸ MTNR1A P48039 1/20 0.43

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
SCHEMBL8801364 0.88 ALDH1A1 (0.52) HDAC8HDAC11HDAC6HDAC3HDAC4
SCHEMBL9055984 0.84 BACE1 (0.51) HDAC8HDAC11HDAC6HDAC3HDAC4
SCHEMBL9058088 0.83 HDAC8 (0.49) HDAC8HDAC11HDAC6HDAC3HDAC4
SCHEMBL28886142 0.78 HTR2A (0.57) HDAC8HDAC11HDAC6HDAC3HDAC4
SCHEMBL6086725 0.77 HDAC8 (0.53) HDAC8HDAC11HDAC6HDAC3HDAC4
SCHEMBL27475780 0.76 HDAC8 (0.56) HDAC8HDAC11HDAC6HDAC3HDAC4
SCHEMBL8388261 0.74 HDAC1 (0.50) HDAC8HDAC11HDAC6HDAC3HDAC4
SCHEMBL36603 0.73 ELANE (0.58) ELANEALDH1A1PPARGPPARA
SCHEMBL29801955 0.73 ELANE (0.58) ELANEALDH1A1PPARGPPARA
SCHEMBL31476932 0.73 ELANE (0.58) ELANEALDH1A1PPARGPPARA

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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