SCHEMBL6568849

SCHEMBL6568849

Cc1ccccc1-c1ccc(N=C=O)c(N=C=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
TRPA1 O75762 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 1/20 0.32
PLA2G7 Q13093 1/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL29589751 0.82 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL278156 0.82 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL7585388 0.79 CYP3A4 (0.55) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL28809312 0.78 CYP3A4 (0.55) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL11117660 0.78 GABRA1 (0.46) CYP3A4TRPA1GABRA1GABRB2BRD4
SCHEMBL29930513 0.77 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL110656 0.77 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL3680230 0.77 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL10435659 0.75 CYP3A4 (0.60) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL3213502 0.74 CYP3A4 (0.50) CYP3A4TRPA1GABRA1GABRB2ALDH1A1

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
CN-113614853-A Electrical insulating resin composition and electrical insulator 昭和电工材料株式会社 2021-11-05 CN disclosed
CN-113228202-A Electrical insulating resin composition and electrical insulator 昭和电工材料株式会社 2021-08-06 CN disclosed
CN-106662813-B Curable resin composition, dry film, cured product, and printed wiring board 太阳油墨制造株式会社 2021-02-26 CN disclosed
EP-1402288-A1 POLYMERIC MATERIALS FOR MAKING CONTACT LENSES Novartis AG (CH) 2004-03-31 EP disclosed
WO-2002097481-A1 POLYMERIC MATERIALS FOR MAKING CONTACT LENSES NOVARTIS AG (CH) 2002-12-05 WO disclosed