SCHEMBL29627459

SCHEMBL29627459

O=c1cc(OCC(F)(F)F)oc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
GABRP O00591 6/20 0.49
GABRD O14764 6/20 0.49
GABRA1 P14867 6/20 0.49
GABRB1 P18505 6/20 0.49
GABRG2 P18507 6/20 0.49
GABRB3 P28472 6/20 0.49
GABRA5 P31644 6/20 0.49
GABRA3 P34903 6/20 0.49
GABRA2 P47869 6/20 0.49
GABRB2 P47870 6/20 0.49
GABRA4 P48169 6/20 0.49
GABRE P78334 6/20 0.49
GABRA6 Q16445 6/20 0.49
GABRG1 Q8N1C3 6/20 0.49
GABRG3 Q99928 6/20 0.49
GABRQ Q9UN88 6/20 0.49
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TNKS O95271 1/20 0.40

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
SCHEMBL28739783 1.00 KDM1A (0.51) KDM1AGABRPGABRDGABRA1GABRB1
SCHEMBL28739800 0.80 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29627450 0.80 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28739759 0.79 ADCY1 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28739772 0.79 MAPT (0.50) CSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL28739805 0.79 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29627445 0.79 ADCY1 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29627462 0.79 MAPT (0.50) CSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL29627449 0.79 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28739774 0.77 CYP3A4 (0.50) 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
CN-114560837-A Chromone compound and preparation method and application thereof 五邑大学 2022-05-31 CN disclosed