SCHEMBL28795751

SCHEMBL28795751

O=[N+]([O-])c1cccc(C(Br)CBr)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ACP3 P15309 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ ACHE P22303 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL21201087 0.87 TSHR (0.50) TSHRLMNAACP3L3MBTL1KMT2A
SCHEMBL29867321 0.87 TSHR (0.50) TSHRLMNAACP3L3MBTL1KMT2A
SCHEMBL7009326 0.85 TSHR (0.52) TSHRLMNAACP3L3MBTL1KMT2A
SCHEMBL7110594 0.83 L3MBTL1 (0.62) TSHRLMNAACP3L3MBTL1KMT2A
SCHEMBL6745214 0.83 L3MBTL1 (0.62) TSHRLMNAACP3L3MBTL1KMT2A
SCHEMBL6743779 0.83 L3MBTL1 (0.62) TSHRLMNAACP3L3MBTL1KMT2A
SCHEMBL15675484 0.82 TSHR (0.48) TSHRLMNAACP3L3MBTL1KMT2A
SCHEMBL11432821 0.82 TSHR (0.61) TSHRLMNAACP3L3MBTL1KMT2A
SCHEMBL384083 0.82 TSHR (0.61) TSHRLMNAACP3L3MBTL1KMT2A
SCHEMBL7822123 0.81 ACP3 (0.51) TSHRLMNAACP3L3MBTL1KMT2A

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-114805044-A Novel method for synthesizing dibromo compound 兰州大学 2022-07-29 — — CN disclosed
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