SCHEMBL30403320

SCHEMBL30403320

O=C(O)c1cc2c(Cl)ccc(C(F)(F)F)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EIF4A3 P38919 2/20 0.48
▸ IDO1 P14902 3/20 0.43
▸ TDO2 P48775 3/20 0.43
▸ RHEB Q15382 6/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ DAO P14920 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FBP1 P09467 1/20 0.39
▸ KDM4A O75164 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL30396135 0.83 NOTUM (0.43) KDM4EMEN1KMT2AKDRFBP1
SCHEMBL3959096 0.82 EIF4A3 (0.53) EIF4A3IDO1TDO2RHEBGRIN1
SCHEMBL30310764 0.82 EIF4A3 (0.53) EIF4A3IDO1TDO2RHEBGRIN1
SCHEMBL22394891 0.80 IDO1 (0.65) EIF4A3IDO1TDO2RHEBGRIN1
SCHEMBL24020852 0.74 IDO1 (0.58) EIF4A3IDO1TDO2RHEBGRIN1
SCHEMBL30817219 0.74 IDO1 (0.58) EIF4A3IDO1TDO2RHEBGRIN1
SCHEMBL30396556 0.73 RHEB (0.55) EIF4A3IDO1TDO2RHEBGRIN1
SCHEMBL1145047 0.72 HRH4 (0.60) EIF4A3DAOHPGDKDM4EMEN1
SCHEMBL28463825 0.72 FBP1 (0.63) EIF4A3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL24189623 0.71 EIF4A3 (0.68) EIF4A3IDO1TDO2RHEBGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 — — CN disclosed
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