SCHEMBL27709611

SCHEMBL27709611

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 5/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ GRIN1 Q05586 3/20 0.41
▸ GRIN2B Q13224 3/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TNKS O95271 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL27709606 0.83 HTT (0.48) HTTMAPTNPC1RAB9ANFKB1
SCHEMBL27689875 0.78 TDP1 (0.49) HTTMAPTNPC1RAB9ANFKB1
SCHEMBL27709603 0.77 EGFR (0.60) HTTMAPTNPC1RAB9ANFKB1
SCHEMBL27689932 0.77 HTT (0.62) HTTMAPTNPC1RAB9AHDAC3
SCHEMBL27689878 0.77 MMP1 (0.58) HTTMAPTGRIN1GRIN2BHDAC3
SCHEMBL1949536 0.75 MAPT (0.55) HTTMAPTNPC1RAB9ANFKB1
SCHEMBL3118443 0.74 CYP1A2 (0.62) HTTMAPTNPC1RAB9ANFKB1
SCHEMBL14504234 0.74 CYP1A2 (0.62) HTTMAPTNPC1RAB9ANFKB1
SCHEMBL27709705 0.74 TDP1 (0.52) HTTMAPTNPC1RAB9ANFKB1
Hydrochloric Acid SCHEMBL5427451 0.74 HTR2B (0.56) HTTMAPTNPC1RAB9ANFKB1

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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