SCHEMBL3976462

SCHEMBL3976462

COc1ccc(-c2cc(-c3ccccc3C#N)cc(-n3ccccc3=O)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.41
PGR P06401 2/20 0.41
AR P10275 2/20 0.41
CHEK1 O14757 1/20 0.40
PRKCQ Q04759 1/20 0.39
AGTR1 P30556 1/20 0.39
GRM2 Q14416 1/20 0.38
F10 P00742 1/20 0.38
CREBBP Q92793 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3667717 0.89 PGR (0.44) PGRARAGTR1CREBBPKDM4E
SCHEMBL2950143 0.82 AVPR2 (0.43) GRM2GRIN1GRIN2B
SCHEMBL2921712 0.78 TGFBR1 (0.38)
SCHEMBL3681524 0.78 CYP11B1 (0.45)
SCHEMBL3676538 0.76 PTPRC (0.39)
SCHEMBL3668910 0.76 GABRA1 (0.36) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3672343 0.74 PIM1 (0.38) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2918046 0.74 GRIA1 (0.56)
Water SCHEMBL4777578 0.74 GRIA1 (0.56)
SCHEMBL6695571 0.74 MEN1 (0.40) KDM4EALDH1A1MEN1GLAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131828-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES Eisai R&D Management Co., Ltd. (JP) 2009-12-16 EP disclosed
WO-2009054544-A1 AMPA RECEPTOR ANTAGONISTS FOR PARKINSON'S DISEASE AND MOVEMENT DISORDERS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-04-30 WO disclosed
WO-2008111590-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-18 WO disclosed