SCHEMBL5670304

SCHEMBL5670304

NC(N)=NC(=O)/C=C/c1ccccc1CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.41
▸ NFKB1 P19838 1/20 0.38
▸ PTGER3 P43115 6/20 0.37
▸ PTGER2 P43116 6/20 0.37
▸ PTGER4 P35408 4/20 0.37
▸ BACE1 P56817 2/20 0.36
▸ TBXA2R P21731 4/20 0.34
▸ PTGDR Q13258 4/20 0.34
▸ PTGFR P43088 3/20 0.34
▸ MAOB P27338 3/20 0.33
▸ GRIN1 Q05586 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ PTGIR P43119 2/20 0.33
▸ PTGER1 P34995 2/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ GRIN2D O15399 2/20 0.33
▸ GRIN3B O60391 2/20 0.33
▸ GRIN2A Q12879 2/20 0.33
▸ GRIN2C Q14957 2/20 0.33
▸ GRIN3A Q8TCU5 2/20 0.33

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
SCHEMBL5434526 0.82 SLC9A1 (0.42) HTR2BNFKB1PTGER3PTGER2PTGER4
SCHEMBL28993114 0.79 PTGER3 (0.56) NFKB1PTGER3PTGER2PTGER4TBXA2R
SCHEMBL5436433 0.78 NFKB1 (0.64) HTR2BNFKB1BACE1MAOBGRIN1
SCHEMBL5670302 0.77 HTT (0.41) NFKB1PTGER3PTGER2PTGER4BACE1
SCHEMBL5436272 0.76 MAOB (0.50) HTR2BMAOBGRIN1GRIN2BNFE2L2
SCHEMBL5423688 0.73 HSD11B1 (0.61) HTR2BNFKB1NFE2L2
SCHEMBL5426825 0.73 HDAC1 (0.54) NFKB1MAOBGRIN1GRIN2BGRIN2D
SCHEMBL5430628 0.73 ALDH1A1 (0.48) HTR2BNFKB1NFE2L2
SCHEMBL5672084 0.73 HTR2B (0.47) HTR2BGRIN1GRIN2B
SCHEMBL5432216 0.72 NFKB1 (0.44) HTR2BNFKB1BACE1MAOBGRIN1

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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