SCHEMBL10713664

SCHEMBL10713664

O=c1[nH]c2ccc([N+](=O)[O-])cc2c2nc(-c3ccccc3F)nn12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
XDH P47989 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL22987945 0.85 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10715034 0.83 ADORA3 (0.63) ADORA3
SCHEMBL29646443 0.82 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10715371 0.82 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22987502 0.80 KDM4E (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11171114 0.78 HAVCR2 (0.65) XDH
SCHEMBL7325440 0.75 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22987498 0.73 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22987528 0.73 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7317135 0.71 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2

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-4713383-A ADENOSINE AND BENZODIAZEPINE ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1987-12-15 US disclosed
EP-0181282-A1 Triazoloquinazoline compounds CIBA-GEIGY AG (CH) 1986-05-14 EP disclosed