SCHEMBL5325577

SCHEMBL5325577

COc1ccc(CN2N=C(C3CCCCC3)c3cc(-c4ccoc4)ccc3N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 10/20 0.42
MAPT P10636 5/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
P2RX3 P56373 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
APP P05067 2/20 0.35
SNCA P37840 2/20 0.35

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
SCHEMBL5323873 0.89 PTH1R (0.43) PTH1RMAPTHTTSMN1; SMN2PDE4A
SCHEMBL5330994 0.87 PTH1R (0.43) PTH1RMAPTHTTSMN1; SMN2PDE4A
SCHEMBL5323786 0.87 PTH1R (0.45) PTH1RMAPTHTTSMN1; SMN2PDE4A
SCHEMBL5453686 0.86 PTH1R (0.47) PTH1RMAPTHTTSMN1; SMN2PDE4A
SCHEMBL5327453 0.86 PTH1R (0.45) PTH1RMAPTHTTSMN1; SMN2PDE4A
SCHEMBL5320380 0.84 PTH1R (0.57) PTH1RMAPTHTTSMN1; SMN2PDE4A
SCHEMBL5322494 0.80 PTH1R (0.56) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5327910 0.80 PTH1R (0.56) PTH1RMAPTPDE4APDE4BPDE4C
SCHEMBL5321708 0.76 PTH1R (0.56) PTH1RALDH1A1
SCHEMBL5324664 0.76 PTH1R (0.58) PTH1R

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