SCHEMBL2802530

SCHEMBL2802530

O=[N+]([O-])c1ccc(S)c(-c2ccc(Br)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
PTPRC P08575 3/20 0.44
S100A4 P26447 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL6201706 0.83 HSPB1 (0.46) PTPRCS100A4MEN1KMT2APTGS2
SCHEMBL10508753 0.83 PTGS2 (0.55) PTPRCS100A4MEN1KMT2APTGS2
SCHEMBL27607560 0.81 GPR35 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2329450 0.76 POLB (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27906245 0.75 KMT2A (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8354258 0.74 ALDH1A1 (0.47) PTPRCS100A4POLBALDH1A1CYP3A4
SCHEMBL85535 0.73 MEN1 (0.64) MEN1KMT2APOLBMAPTNPC1
SCHEMBL28122065 0.72 PTPRC (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11822059 0.72 TSHR (0.52) PTPRCS100A4ALDH1A1CYP3A4TDP1
SCHEMBL2818370 0.72 ALDH1A1 (0.50) PTPRCS100A4MEN1KMT2APTGS2

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
EP-2391601-A1 SULFAMOYL- PHENYL-UREIDO BENZAMIDINE-DERIVATIVES AS ANTIMALARIAL AGENTS 4SC AG (DE) 2011-12-07 EP disclosed
WO-2010086177-A1 SULFAMOYL- PHENYL-UREIDO BENZAMIDINE-DERIVATIVES AS ANTIMALARIAL AGENTS 4SC AG (DE) 2010-08-05 WO disclosed