SCHEMBL9258430

SCHEMBL9258430

NC(=NO)c1ncn2c1Cn1ncnc1-c1sccc1-2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 18/20 0.44
GABRB3 P28472 18/20 0.44
GABRA5 P31644 18/20 0.44
GABRA1 P14867 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9263997 0.87 GABRG2 (0.47) GABRG2GABRB3GABRA5ALDH1A1CYP1A2
SCHEMBL9262794 0.83 GABRG2 (0.47) GABRG2GABRB3GABRA5ALDH1A1CYP1A2
SCHEMBL9261166 0.81 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9263447 0.78 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9259121 0.78 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9263664 0.77 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9262195 0.77 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7385733 0.77 ALDH1A1 (0.64) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7385731 0.77 ALDH1A1 (0.64) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9263361 0.77 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA1GABRA3

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
US-5387585-A Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia HOFFMANN-LA ROCHE INC. (US) 1995-02-07 US disclosed
EP-0519307-A2 Tetracyclic Imidazodiazepines F. HOFFMANN-LA ROCHE AG (CH) 1992-12-23 EP disclosed