SCHEMBL27689878

SCHEMBL27689878

NC(=NC(=O)/C=C/c1ccccc1)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 8/20 0.58
▸ MMP2 P08253 8/20 0.58
▸ MMP9 P14780 8/20 0.58
▸ EGFR P00533 4/20 0.58
▸ MAOB P27338 3/20 0.58
▸ MAOA P21397 1/20 0.58
▸ DEGS1 O15121 1/20 0.49
▸ HTT P42858 1/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ TNKS O95271 1/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46

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
SCHEMBL5430613 0.84 MMP1 (0.62) MMP1MMP2MMP9EGFRMAOB
SCHEMBL5430611 0.84 MMP1 (0.62) MMP1MMP2MMP9EGFRMAOB
SCHEMBL27689875 0.83 TDP1 (0.49) MMP1MMP2MMP9EGFRMAOB
SCHEMBL27689932 0.81 HTT (0.62) MMP1MMP2MMP9EGFRMAOB
SCHEMBL1949536 0.80 MAPT (0.55) MMP1MMP2MMP9EGFRMAOB
SCHEMBL5670617 0.79 MMP1 (0.64) MMP1MMP2MMP9EGFRMAOB
SCHEMBL27709603 0.79 EGFR (0.60) MMP1MMP2MMP9EGFRMAOB
SCHEMBL27709606 0.79 HTT (0.48) MMP1MMP2MMP9EGFRMAOB
SCHEMBL3118443 0.79 CYP1A2 (0.62) EGFRMAOBHTTHDAC3HDAC4
SCHEMBL27709705 0.79 TDP1 (0.52) MMP1MMP2MMP9EGFRMAOB

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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