SCHEMBL11670823

SCHEMBL11670823

Cn1c([N+](=O)[O-])cnc1-c1nc(=O)c2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 3/20 0.40
▸ GABRD O14764 3/20 0.40
▸ GABRA1 P14867 3/20 0.40
▸ GABRB1 P18505 3/20 0.40
▸ GABRG2 P18507 3/20 0.40
▸ GABRB3 P28472 3/20 0.40
▸ GABRA5 P31644 3/20 0.40
▸ GABRA3 P34903 3/20 0.40
▸ GABRA2 P47869 3/20 0.40
▸ GABRB2 P47870 3/20 0.40
▸ GABRA4 P48169 3/20 0.40
▸ GABRE P78334 3/20 0.40
▸ GABRA6 Q16445 3/20 0.40
▸ GABRG1 Q8N1C3 3/20 0.40
▸ GABRG3 Q99928 3/20 0.40
▸ GABRQ Q9UN88 3/20 0.40
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ADORA3 P0DMS8 2/20 0.37
▸ ADORA2A P29274 1/20 0.37

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
SCHEMBL11725236 0.84 MMP2 (0.51) KDM4EADORA3ADORA2AADORA1KDR
SCHEMBL11670827 0.81 GUSB (0.54) GAAKDM4EGUSBHSD17B10
SCHEMBL11725733 0.75 MMP2 (0.57) GAAKDM4EKDRMMP2MMP9
SCHEMBL11725726 0.75 MMP2 (0.45) GAAKDM4EKDRGUSBMMP2
SCHEMBL11724421 0.74 GUSB (0.46) ADORA3GUSBMMP2MMP9MMP8
SCHEMBL11722858 0.74 NPBWR1 (0.59) KDM4EMMP2MMP9MMP8
SCHEMBL11722849 0.74 ALDH1A1 (0.49) KDM4EMMP2MMP9MMP8
SCHEMBL11719378 0.73 NPBWR1 (0.53) KDM4EADORA3HSD17B10MMP2MMP9
SCHEMBL11719369 0.73 NPBWR1 (0.45) GAAMMP2MMP9MMP8
SCHEMBL11721837 0.72 NPBWR1 (0.41) GAAMMP2MMP9MMP8

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-4055642-A PARASITICIDES, MYCOPLASMA GROWTH INHIBITORS SANDOZ LTD. (CH) 1977-10-25 — — US disclosed
Send feedback