SCHEMBL31301080

SCHEMBL31301080

Brc1cccc(-c2cccc(-c3ccc4c5c(cccc35)Sc3ccccc3-4)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 5/20 0.33
GABRB3 P28472 5/20 0.33
GABRA5 P31644 5/20 0.33
GABRA3 P34903 5/20 0.33
GABRA1 P14867 4/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MAOB P27338 2/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL21385050 1.00 GABRG2 (0.33) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL18371181 0.84 HKDC1 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22969362 0.82 ACHE (0.33)
SCHEMBL16558545 0.81 SLC6A3 (0.34) BCHESLC6A3SMN1; SMN2HKDC1RAB9A
SCHEMBL22969187 0.81 ACHE (0.32)
SCHEMBL30509653 0.80 HKDC1 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL323040 0.80 HKDC1 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21382718 0.79 TYMS (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21382898 0.79 CYP1A2 (0.47) HKDC1NPC1TP53MEN1KMT2A
SCHEMBL31301078 0.79 CYP1A2 (0.47) HKDC1NPC1TP53MEN1KMT2A

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-111683942-B Compound, organic light-emitting device and display device SK 株式会社 2024-10-25 CN disclosed