SCHEMBL7477905

SCHEMBL7477905

NC(=O)C(Br)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.53
GSK3B P49841 1/20 0.41
KIF11 P52732 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX1 P07099 2/20 0.38
GAA P10253 1/20 0.38
CES2 O00748 2/20 0.38
IDO1 P14902 1/20 0.37
KCNN4 O15554 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL7472297 0.85 PDE2A (0.54) PDE2AGSK3BKDM4EALDH1A1HPGD
SCHEMBL7478651 0.82 PDE2A (0.58) PDE2AKIF11KDM4EALDH1A1HPGD
SCHEMBL20474139 0.81 PDE2A (0.61) PDE2AKIF11EPHX1GAA
SCHEMBL18097879 0.80 PDE2A (0.53) PDE2AGSK3BGAA
SCHEMBL7471753 0.80 CES2 (0.49) ALDH1A1CES2IDO1KCNN4
SCHEMBL2738655 0.78 PDE2A (0.51) PDE2AKIF11KDM4EALDH1A1HPGD
SCHEMBL14720840 0.78 DGAT1 (0.53) KDM4EALDH1A1GAA
SCHEMBL18172071 0.77 PDE2A (0.49) PDE2AKIF11KDM4EALDH1A1HPGD
SCHEMBL20791346 0.75 PDE2A (0.54) PDE2AKIF11KDM4EALDH1A1HPGD
SCHEMBL30525047 0.75 PDE2A (0.54) PDE2AKIF11KDM4EALDH1A1HPGD

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-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed