SCHEMBL8304801

SCHEMBL8304801

O=C1CCCC(O)=C1C(=O)c1ccc(C(F)(F)F)nc1-c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
PDK1 Q15118 3/20 0.33
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
POLB P06746 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE4B Q07343 1/20 0.30
HPD P32754 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL6215386 0.79 LMNA (0.43) SMN1; SMN2
SCHEMBL8303447 0.72 CDC7 (0.39) PKN1PKN2POLBL3MBTL1
SCHEMBL1373985 0.72 SMN1; SMN2 (0.34) SMN1; SMN2PDK1PDK2PDK3PDK4
SCHEMBL10300849 0.71 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL8211915 0.70 SMN1; SMN2 (0.33) SMN1; SMN2PDE4B
SCHEMBL6214221 0.69 LMNA (0.41)
SCHEMBL6322603 0.67 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL6216492 0.66 ALDH1A1 (0.33) SMN1; SMN2POLBL3MBTL1PDE4BKDM4E
SCHEMBL13383596 0.66 MEN1 (0.32) SMN1; SMN2POLBAPOBEC3AAPOBEC3GTDP1
SCHEMBL6218280 0.66 LMNA (0.41) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922032-A1 HERBICIDAL PYRIDINYL AND PYRAZOLYLPHENYL KETONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-16 EP claimed
WO-1997046530-A1 HERBICIDAL PYRIDINYL AND PYRAZOLYLPHENYL KETONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-11 WO claimed
EP-0922032-A1 HERBICIDAL PYRIDINYL AND PYRAZOLYLPHENYL KETONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-16 EP disclosed
WO-1997046530-A1 HERBICIDAL PYRIDINYL AND PYRAZOLYLPHENYL KETONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-11 WO disclosed