SCHEMBL7209613

SCHEMBL7209613

O=C=Nc1cccc(C=Cc2ccccc2)c1N=C=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
NFE2L2 Q16236 5/20 0.41
TRPA1 O75762 2/20 0.41
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
HDAC1 Q13547 1/20 0.34
DPYD Q12882 1/20 0.34
DHFR P00374 1/20 0.34
MAOB P27338 2/20 0.33
CYP19A1 P11511 1/20 0.33
MAOA P21397 1/20 0.33
NR1H2 P55055 1/20 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
SCHEMBL11022950 0.86 NFE2L2 (0.46) CYP3A4NFE2L2TRPA1SIGMAR1HDAC1
SCHEMBL11022955 0.86 NFE2L2 (0.46) CYP3A4NFE2L2TRPA1SIGMAR1HDAC1
SCHEMBL29127230 0.83 KDM4E (0.41) CYP3A4NFE2L2TRPA1GABRA1GABRB2
SCHEMBL28420132 0.81 ALDH1A1 (0.42) CYP3A4NFE2L2TRPA1GABRA1GABRB2
SCHEMBL20267366 0.80 CYP3A4 (0.47) CYP3A4NFE2L2TRPA1HDAC1MAOB
SCHEMBL17047459 0.80 CYP3A4 (0.47) CYP3A4NFE2L2TRPA1HDAC1MAOB
SCHEMBL28497133 0.77 MAOB (0.48) CYP3A4NFE2L2TRPA1HDAC1MAOB
SCHEMBL31168163 0.77 CYP3A4 (0.50) CYP3A4NFE2L2TRPA1GABRA1GABRB2
SCHEMBL5551100 0.77 CYP3A4 (0.50) CYP3A4NFE2L2TRPA1GABRA1GABRB2
SCHEMBL3099538 0.77 CYP3A4 (0.50) CYP3A4NFE2L2TRPA1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934041-A4 HYDROGEL WOUND DRESSING AND THE METHOD OF MAKING AND USING THE SAME SHERWOOD SERV AG (CH) 2003-01-08 EP disclosed
EP-0934041-A1 HYDROGEL WOUND DRESSING AND THE METHOD OF MAKING AND USING THE SAME Tyco Group S.A.R.L. (LU) 1999-08-11 EP disclosed
EP-0918457-A1 PESTICIDAL COMPOSITIONS HAMPSHIRE CHEMICAL CORPORATION (US) 1999-06-02 EP disclosed
WO-1998017215-A1 HYDROGEL WOUND DRESSING AND THE METHOD OF MAKING AND USING THE SAME TYCO GROUP S.A.R.L. (LU) 1998-04-30 WO disclosed
WO-1998005205-A1 PESTICIDAL COMPOSITIONS HAMPSHIRE CHEMICAL CORP. (US) 1998-02-12 WO disclosed