SCHEMBL27709606

SCHEMBL27709606

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ EGFR P00533 2/20 0.45
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ PLIN1 O60240 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ PLIN5 Q00G26 2/20 0.43
▸ ABHD5 Q8WTS1 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TNKS O95271 1/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 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
SCHEMBL27709603 0.85 EGFR (0.60) HTTEGFRHDAC3HDAC4HDAC1
SCHEMBL27709611 0.83 HTT (0.46) HTTEGFRHDAC3HDAC4HDAC1
SCHEMBL27689875 0.80 TDP1 (0.49) HTTEGFRHDAC3HDAC4HDAC1
SCHEMBL27689878 0.79 MMP1 (0.58) HTTEGFRHDAC3HDAC4HDAC1
SCHEMBL27689932 0.79 HTT (0.62) HTTEGFRHDAC3HDAC4HDAC1
SCHEMBL1949536 0.77 MAPT (0.55) HTTEGFRHDAC3HDAC4HDAC1
SCHEMBL3118443 0.77 CYP1A2 (0.62) HTTEGFRHDAC3HDAC4HDAC1
SCHEMBL27709705 0.77 TDP1 (0.52) HTTEGFRHDAC3HDAC4HDAC1
SCHEMBL14504234 0.77 CYP1A2 (0.62) HTTEGFRHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL5427451 0.76 HTR2B (0.56) HTTEGFRHDAC3HDAC4HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101111475-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-01-23 — — CN claimed
CN-101111475-B Antiviral compounds and methods BIOTRON LTD 2012-09-05 — — CN disclosed
CN-101111475-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-01-23 — — CN disclosed
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