SCHEMBL15435591

SCHEMBL15435591

CC1=NCC(=O)Nc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
HPGD P15428 1/20 0.65
PDE4D Q08499 1/20 0.65
GABRA1 P14867 2/20 0.61
GABRG2 P18507 2/20 0.61
GABRB3 P28472 2/20 0.61
GABRA5 P31644 2/20 0.61
GABRA3 P34903 2/20 0.61
GABRA2 P47869 2/20 0.61
GABRP O00591 1/20 0.61
GABRD O14764 1/20 0.61
GABRB1 P18505 1/20 0.61
ADRA1A P35348 1/20 0.61
GABRB2 P47870 1/20 0.61
GABRA4 P48169 1/20 0.61
GABRE P78334 1/20 0.61
GABRA6 Q16445 1/20 0.61
GABRG1 Q8N1C3 1/20 0.61
GABRG3 Q99928 1/20 0.61
GABRQ Q9UN88 1/20 0.61

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
SCHEMBL2615370 0.82 PDE4D (0.78) LMNAHPGDPDE4DGABRA1GABRG2
Nitrazepam SCHEMBL35202 0.79 PDE4D (1.00) LMNAHPGDPDE4DGABRA1GABRG2
Nitrazepam SCHEMBL29408437 0.79 PDE4D (1.00) LMNAHPGDPDE4DGABRA1GABRG2
Nitrazepam SCHEMBL9747297 0.79 PDE4D (1.00) LMNAHPGDPDE4DGABRA1GABRG2
SCHEMBL13284399 0.77 LMNA (0.78) LMNAHPGDPDE4DGABRA1GABRG2
SCHEMBL7721819 0.77 LMNA (0.78) LMNAHPGDPDE4DGABRA1GABRG2
SCHEMBL11827239 0.77 PGR (0.67) LMNAPDE4DGABRA1GABRG2GABRB3
SCHEMBL3988229 0.77 KMT2A (0.60) PDE4DGABRA1GABRG2GABRB3GABRA5
Clonazepam SCHEMBL13747803 0.76 GABRA1 (1.00) LMNAHPGDPDE4DGABRA1GABRG2
SCHEMBL7308583 0.76 GABRA1 (0.76) LMNAHPGDPDE4DGABRA1GABRG2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9347961-B2 Test kit for the quantitative determination of narcotic drugs CHIRON AS (NO) 2016-05-24 US disclosed
US-20150204893-A1 TEST KIT FOR THE QUANTITATIVE DETERMINATION OF NARCOTIC DRUGS CHIRON AS (NO) 2015-07-23 US disclosed
EP-2687854-A1 Test kit for the quantitative determination of narcotic drugs Chiron AS (NO) 2014-01-22 EP disclosed