SCHEMBL28528733

SCHEMBL28528733

O=[N+]([O-])c1c(C(Br)(Br)Br)c(C(Br)(Br)Br)c(Br)c(C(Br)(Br)Br)c1C(Br)(Br)Br

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 1/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL28530058 0.74 ABCC8 (0.34) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL3518192 0.70 ALDH1A1 (0.38) ALDH1A1TSHRTDP1CYP1A2GRIN2D
SCHEMBL1814330 0.67 ALDH1A1 (0.35) ALDH1A1TSHRTDP1CYP1A2GRIN2D
SCHEMBL30869950 0.67 ALDH1A1 (0.35) ALDH1A1TSHRTDP1CYP1A2GRIN2D
SCHEMBL9776010 0.66 TSHR (0.35) ALDH1A1TSHRTDP1CYP1A2GRIN2D
SCHEMBL28380072 0.65 ALDH1A1 (0.34) ALDH1A1TSHRTDP1CYP1A2
SCHEMBL18510270 0.65 ALDH1A1 (0.41) ALDH1A1TSHRTDP1CYP1A2GRIN2D
SCHEMBL4923849 0.64 ALDH1A1 (0.39) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL3469093 0.64 ALDH1A1 (0.44) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL11773834 0.63 CYP1A2 (0.47) ALDH1A1TSHRTDP1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112225676-B Fluorine-containing aromatic diamine compound and preparation method thereof, fluorine-containing polyimide compound and preparation method thereof 深圳市道尔顿电子材料有限公司 2023-03-10 — — CN disclosed
CN-112225676-A Fluorine-containing aromatic diamine compound and preparation method thereof, fluorine-containing polyimide compound and preparation method thereof 深圳市道尔顿电子材料有限公司 2021-01-15 — — CN disclosed
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