SCHEMBL11298004

SCHEMBL11298004

O=[N+]([O-])c1cccc2c1Cc1cc(Br)ccc1S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.41
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KMT2A Q03164 3/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33

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
SCHEMBL8573052 0.74 TSHR (0.40) SNCALMNATSHRACHETDP1
SCHEMBL27636541 0.73 TSHR (0.39) SNCALMNATSHRACHETDP1
SCHEMBL28264281 0.72 METAP1 (0.38) SNCALMNAKMT2AMAPTMEN1
SCHEMBL30439952 0.71 ALDH1A1 (0.46) LMNATDP1KMT2AMAPTMEN1
SCHEMBL17996133 0.70 SNCA (0.47) SNCALMNATSHRACHETDP1
SCHEMBL9693608 0.69 MEN1 (0.43) SNCALMNATSHRACHETDP1
SCHEMBL11015193 0.68 SNCA (0.51) SNCALMNAACHETDP1KMT2A
SCHEMBL17996082 0.68 SNCA (0.60) SNCALMNATSHRTDP1KMT2A
Bromide SCHEMBL7268760 0.67 TDP1 (0.50) LMNATSHRACHETDP1KMT2A
Ammonia Solution, Strong SCHEMBL27809956 0.67 TDP1 (0.50) LMNATSHRACHETDP1KMT2A

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
US-4248795-A BY OXIDATION OF THE CORRESPONDING SULFIDE WITH AN AQUEOUS PERACID SOLUTION UNION CARBIDE CORPORATION (US) 1981-02-03 US disclosed