SCHEMBL9821549

SCHEMBL9821549

Fc1ccc(/C=N/n2cncn2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
NFE2L2 Q16236 4/20 0.40
AMY1A P0DUB6 1/20 0.40
LMNA P02545 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL9821551 1.00 POLB (0.48) POLBGAAGRIN2DGRIN3BGRIN1
SCHEMBL9821384 0.80 HPGD (0.43) POLBGAAKDM4EHSD17B10ALDH1A1
SCHEMBL9821376 0.78 GAA (0.60) POLBGAAGRIN2DGRIN3BGRIN1
SCHEMBL9821379 0.78 GAA (0.60) POLBGAAGRIN2DGRIN3BGRIN1
SCHEMBL9821458 0.77 AMY1A (0.41) POLBGAAKDM4EHSD17B10ALDH1A1
SCHEMBL6695867 0.73 CYP3A4 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4956254 0.69 POLB (0.57) POLBGAAKDM4EHSD17B10ALDH1A1
SCHEMBL5310267 0.68 GAA (0.59) POLBGAAKDM4EHSD17B10ALDH1A1
SCHEMBL17712851 0.65 GRIN2D (0.61) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17712848 0.65 GRIN2D (0.61) POLBGRIN2DGRIN3BGRIN1GRIN2A

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
US-5041458-A Fungicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-20 US disclosed
EP-0349580-B1 FUNGICIDAL AMINOTRIAZOLES AND AMINOIMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-15 EP disclosed
EP-0349580-A1 FUNGICIDAL AMINOTRIAZOLES AND AMINOIMIDAZOLES. DU PONT (US) 1990-01-10 EP disclosed
WO-1988007040-A1 FUNGICIDAL AMINOTRIAZOLES AND AMINOIMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-09-22 WO disclosed
EP-0283245-A1 Fungicidal aminotriazoles and aminoimidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-09-21 EP disclosed