SCHEMBL29120199

SCHEMBL29120199

O=c1cc(OC(F)C(F)F)oc2ccc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 1/20 0.49
GABRP O00591 9/20 0.48
GABRD O14764 9/20 0.48
GABRA1 P14867 9/20 0.48
GABRB1 P18505 9/20 0.48
GABRG2 P18507 9/20 0.48
GABRB3 P28472 9/20 0.48
GABRA5 P31644 9/20 0.48
GABRA3 P34903 9/20 0.48
GABRA2 P47869 9/20 0.48
GABRB2 P47870 9/20 0.48
GABRA4 P48169 9/20 0.48
GABRE P78334 9/20 0.48
GABRA6 Q16445 9/20 0.48
GABRG1 Q8N1C3 9/20 0.48
GABRG3 Q99928 9/20 0.48
GABRQ Q9UN88 9/20 0.48
ALDH1A1 P00352 4/20 0.48
TNKS O95271 1/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL29120203 0.89 TTR (0.40) ADCY1GABRPGABRDGABRA1GABRB1
SCHEMBL29120190 0.84 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29120178 0.83 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29120210 0.83 MAPT (0.48) ALDH1A1KCNA5KCNH2KDM4EHPGD
SCHEMBL29120158 0.81 NPC1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29120159 0.81 ALDH1A1 (0.57) ALDH1A1KCNA5KCNH2KDM4EHPGD
SCHEMBL29120189 0.80 PON1 (0.42) ADCY1GABRPGABRDGABRA1GABRB1
SCHEMBL29120179 0.79 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29120196 0.74 ALDH1A1 (0.60) ALDH1A1TNKSHPGDMAOBLMNA
SCHEMBL28739759 0.73 ADCY1 (0.51) ADCY1GABRPGABRDGABRA1GABRB1

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-B Chromone compound and preparation method and application thereof 五邑大学 2023-11-24 CN disclosed