SCHEMBL30878020

SCHEMBL30878020

O=c1[nH]c2cccc(Cl)c2cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.59
TNKS O95271 1/20 0.46
KIF11 P52732 1/20 0.42
GRIA1 P42261 2/20 0.42
GRIA2 P42262 2/20 0.42
GRIA3 P42263 2/20 0.42
GRIA4 P48058 2/20 0.42
KDM4E B2RXH2 5/20 0.41
PTGES O14684 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41

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
SCHEMBL21404472 1.00 DAO (0.59) DAOTNKSKIF11GRIA1GRIA2
SCHEMBL31606374 0.81 DAO (0.59) DAOKIF11KDM4ECYP2C19MEN1
SCHEMBL21435057 0.76 DAO (0.63) DAOKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL20940200 0.75 DAO (0.65) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL16767849 0.75 DAO (1.00) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL4017899 0.73 DAO (0.55) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL30556309 0.73 DAO (0.55) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL22571313 0.72 DAO (0.61) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL462740 0.72 GRIN2D (0.61) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL3359175 0.71 DAO (0.64) DAOKIF11KDM4EMEN1KMT2A

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-112165944-B Imidazopiperazine inhibitors of transcriptional activator proteins 德州大学系统董事会 2024-04-09 CN disclosed