SCHEMBL26093618

SCHEMBL26093618

NOC(=O)c1ccnc(N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.63
GABRD O14764 2/20 0.63
GABRA1 P14867 2/20 0.63
GABRB1 P18505 2/20 0.63
GABRG2 P18507 2/20 0.63
GABRB3 P28472 2/20 0.63
GABRA5 P31644 2/20 0.63
GABRA3 P34903 2/20 0.63
GABRA2 P47869 2/20 0.63
GABRB2 P47870 2/20 0.63
GABRA4 P48169 2/20 0.63
GABRE P78334 2/20 0.63
GABRA6 Q16445 2/20 0.63
GABRG1 Q8N1C3 2/20 0.63
GABRG3 Q99928 2/20 0.63
GABRQ Q9UN88 2/20 0.63
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
SMYD3 Q9H7B4 1/20 0.43
NOS3 P29474 4/20 0.41

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
SCHEMBL29437205 0.83 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL339851 0.83 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL2715680 0.81 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28394531 0.80 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27531467 0.79 GABRA1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL256755 0.79 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30705741 0.78 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL220538 0.78 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL446809 0.78 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL5591077 0.78 JMJD6 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023065541-A1 COMPOSITE MATERIAL WITH RAPID BLOOD COAGULATION EFFECT AND PREPARATION METHOD THEREFOR 广东海洋大学 2023-04-27 WO disclosed