SCHEMBL24219902

SCHEMBL24219902

c1ccc2c(c1)[nH]c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)nc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.42
GABRD O14764 5/20 0.42
GABRA1 P14867 5/20 0.42
GABRB1 P18505 5/20 0.42
GABRG2 P18507 5/20 0.42
GABRB3 P28472 5/20 0.42
GABRA5 P31644 5/20 0.42
GABRA3 P34903 5/20 0.42
GABRA2 P47869 5/20 0.42
GABRB2 P47870 5/20 0.42
GABRA4 P48169 5/20 0.42
GABRE P78334 5/20 0.42
GABRA6 Q16445 5/20 0.42
GABRG1 Q8N1C3 5/20 0.42
GABRG3 Q99928 5/20 0.42
GABRQ Q9UN88 5/20 0.42
TLR9 Q9NR96 7/20 0.41
TLR8 Q9NR97 7/20 0.41
TLR7 Q9NYK1 7/20 0.41
AHR P35869 1/20 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
SCHEMBL17483303 0.87 TOP2A (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL612189 0.82 KDM4E (0.43) ALDH1A1
SCHEMBL16089801 0.81 NPC1 (0.39) ALDH1A1
SCHEMBL17692337 0.79 NPC1 (0.37) ALDH1A1
SCHEMBL16089807 0.79 CNR2 (0.37) ALDH1A1
SCHEMBL16089809 0.79 CNR2 (0.37) ALDH1A1
SCHEMBL261208 0.79 KDM4E (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11981047 0.78 L3MBTL1 (0.51) ALDH1A1KMT2A
SCHEMBL22068512 0.78 KDM4E (0.40) ALDH1A1
SCHEMBL30216748 0.78 HTR2B (0.34) 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
EP-3943492-A1 TADF MATERIALS COMPRISING 4-(3-(2-(10H-PHENOXAZIN-10-YL)PYRIDIN-5-YL)-9H-CARBAZOL-9-YL)BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN OLEDS Noctiluca S.A. (PL) 2022-01-26 EP disclosed