SCHEMBL5322196

SCHEMBL5322196

CC(c1ccccc1)N1N=C(C2CCCCC2)c2cc(Br)ccc2N(c2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 13/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCN2A Q99250 1/20 0.33
ATM Q13315 1/20 0.33
PNKP Q96T60 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5287349 0.86 PTH1R (0.44) PTH1RMAPTMAPK1ALDH1A1HTT
SCHEMBL5325257 0.85 PTH1R (0.44) PTH1R
SCHEMBL5321708 0.82 PTH1R (0.56) PTH1RALDH1A1
SCHEMBL5327453 0.75 PTH1R (0.45) PTH1RMAPTMEN1GAAKMT2A
SCHEMBL5319870 0.75 PTH1R (0.60) PTH1RMAPTMEN1KMT2AALDH1A1
SCHEMBL5320431 0.74 PTH1R (0.48) PTH1R
SCHEMBL5328340 0.73 PTH1R (0.50) PTH1RMAPTMEN1GAAKMT2A
SCHEMBL5329914 0.73 PTH1R (0.47) PTH1RMAPTSCN2AACHEHTT
SCHEMBL5324664 0.72 PTH1R (0.58) PTH1RACHE
SCHEMBL5322971 0.71 PTH1R (0.54) PTH1RMAPT

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
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed