SCHEMBL25779388

SCHEMBL25779388

Cn1c2cccc3c4nccc5c6ccccc6n(c6cccc1c6c32)c54

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.43
GABRD O14764 3/20 0.43
GABRA1 P14867 3/20 0.43
GABRB1 P18505 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA2 P47869 3/20 0.43
GABRB2 P47870 3/20 0.43
GABRA4 P48169 3/20 0.43
GABRE P78334 3/20 0.43
GABRA6 Q16445 3/20 0.43
GABRG1 Q8N1C3 3/20 0.43
GABRG3 Q99928 3/20 0.43
GABRQ Q9UN88 3/20 0.43
NLRP3 Q96P20 1/20 0.43
GPR3 P46089 1/20 0.41
PTPN1 P18031 2/20 0.40
ALKBH5 Q6P6C2 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
SCHEMBL25779353 0.94 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25778329 0.82 GPR3 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12165652 0.82 NLRP3 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25779385 0.80 GABRA1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21889374 0.77 NLRP3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25479545 0.76 GPR3 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25779377 0.75 GPR3 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16621617 0.74 NLRP3 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21449205 0.74 GPR3 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21889257 0.74 NLRP3 (0.43) 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
US-20230200227-A1 ORGANIC ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-06-22 US disclosed