SCHEMBL25632011

SCHEMBL25632011

Brc1cccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47
GABRQ Q9UN88 2/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL22544670 0.97 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22534578 0.97 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL38655869 0.96 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30681557 0.94 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22534595 0.94 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22534571 0.94 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23913439 0.92 PLA2G2A (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20977648 0.92 PLA2G2A (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22763842 0.92 PLA2G2A (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21117115 0.92 PLA2G2A (0.48) 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-2023106626-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING ELEMENT 엘티소재주식회사 2023-06-15 WO disclosed