SCHEMBL27689932

SCHEMBL27689932

NC(=NC(=O)/C=C/c1ccccc1)NC(=O)/C=C/c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.62
▸ HDAC3 O15379 2/20 0.54
▸ HDAC4 P56524 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC2 Q92769 2/20 0.54
▸ HDAC8 Q9BY41 2/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ KMT2A Q03164 4/20 0.51
▸ MMP1 P03956 3/20 0.50
▸ MMP2 P08253 3/20 0.50
▸ MMP9 P14780 3/20 0.50
▸ EGFR P00533 2/20 0.50
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ RECQL P46063 2/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL3118443 0.85 CYP1A2 (0.62) HTTHDAC3HDAC4HDAC1HDAC2
SCHEMBL14504234 0.85 CYP1A2 (0.62) HTTHDAC3HDAC4HDAC1HDAC2
SCHEMBL27689904 0.84 KMT2A (0.48) HTTHDAC3HDAC4HDAC1HDAC2
SCHEMBL27689875 0.83 TDP1 (0.49) HTTHDAC3HDAC4HDAC1HDAC2
SCHEMBL27689874 0.83 HTT (0.64) HTTHDAC3HDAC4HDAC1HDAC2
SCHEMBL5671839 0.81 HTT (0.62) HTTHDAC3HDAC4HDAC1HDAC2
SCHEMBL5427400 0.81 HTT (0.62) HTTHDAC3HDAC4HDAC1HDAC2
SCHEMBL27689878 0.81 MMP1 (0.58) HTTHDAC3HDAC4HDAC1HDAC2
SCHEMBL27709612 0.80 HTT (0.60) HTTHDAC3HDAC4HDAC1HDAC2
SCHEMBL1949536 0.80 MAPT (0.55) HTTHDAC3HDAC4HDAC1HDAC2

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-101111475-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-01-23 — — CN disclosed
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