SCHEMBL5672082

SCHEMBL5672082

N=C(N)NC(=O)C=Cc1cccc(CC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 12/20 0.47
▸ MEF2D Q14814 12/20 0.47
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MMP1 P03956 2/20 0.42
▸ MMP2 P08253 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ EP300 Q09472 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
SCHEMBL5443384 0.82 MEN1 (0.64) HTTNPSR1MEN1LMNAHSP90AA1
SCHEMBL5443382 0.82 MEN1 (0.64) HTTNPSR1MEN1LMNAHSP90AA1
SCHEMBL5431348 0.81 HDAC4 (0.60) HDAC4MEF2DHTTMMP1MMP2
SCHEMBL5431345 0.81 HDAC4 (0.60) HDAC4MEF2DHTTMMP1MMP2
SCHEMBL5441726 0.80 HTT (0.55) HDAC4MEF2DHTTMMP1MMP2
SCHEMBL5441723 0.80 HTT (0.55) HDAC4MEF2DHTTMMP1MMP2
SCHEMBL5670848 0.79 HDAC4 (0.60) HDAC4MEF2DHTTNPSR1MMP1
SCHEMBL5432546 0.79 NAMPT (0.45) HDAC4MEF2DHTTNPSR1MMP1
SCHEMBL5432543 0.79 NAMPT (0.45) HDAC4MEF2DHTTNPSR1MMP1
SCHEMBL5672084 0.78 HTR2B (0.47) HDAC4MEF2DNPSR1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646371-A2 ANTIVIRAL COMPOUNDS AND METHODS Biotron Limited (AU) 2006-04-19 — — EP claimed
WO-2004112687-A2 ANTIVIRAL ACYLGUANIDINE COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2004-12-29 — — WO claimed
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