SCHEMBL6879629

SCHEMBL6879629

O=C(CCCCI)Nc1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.74
▸ HDAC4 P56524 2/20 0.74
▸ HDAC1 Q13547 2/20 0.74
▸ HDAC7 Q8WUI4 2/20 0.74
▸ HDAC2 Q92769 2/20 0.74
▸ HDAC10 Q969S8 2/20 0.74
▸ HDAC11 Q96DB2 2/20 0.74
▸ HDAC8 Q9BY41 2/20 0.74
▸ HDAC6 Q9UBN7 2/20 0.74
▸ HDAC9 Q9UKV0 2/20 0.74
▸ HDAC5 Q9UQL6 2/20 0.74
▸ POLB P06746 2/20 0.72
▸ LMNA P02545 1/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ EPHX2 P34913 1/20 0.58
▸ FAAH O00519 1/20 0.57
▸ PKM P14618 2/20 0.56
▸ NOTUM Q6P988 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL15480449 0.91 HDAC3 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28253513 0.86 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27813733 0.85 LMNA (0.97) HDAC3HDAC4HDAC1HDAC7HDAC2
Pyroxamide SCHEMBL154681 0.85 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8277953 0.85 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
Pyroxamide SCHEMBL30184775 0.85 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13477810 0.85 LMNA (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5956924 0.85 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30444393 0.84 LMNA (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL823570 0.84 LMNA (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2011084991-A2 FLUORINATED HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-07-14 — — WO disclosed
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