SCHEMBL30103578

SCHEMBL30103578

c1ccc2c(c1)[nH]c1c(-c3cccc4oc5ccccc5c34)c(-c3cccc4c5ccccc5c5ccccc5c34)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ GABRA4 P48169 1/20 0.43
▸ GABRE P78334 1/20 0.43
▸ GABRA6 Q16445 1/20 0.43
▸ GABRG1 Q8N1C3 1/20 0.43
▸ GABRG3 Q99928 1/20 0.43
▸ GABRQ Q9UN88 1/20 0.43
▸ MAOA P21397 1/20 0.39
▸ MAP3K11 Q16584 2/20 0.38
▸ MAP3K9 P80192 1/20 0.38
▸ KIF11 P52732 4/20 0.38

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
SCHEMBL30022409 0.91 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30103660 0.89 KIF11 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30021638 0.89 KIF11 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30021066 0.88 KIF11 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30022058 0.87 PARP14 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30332318 0.86 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30103785 0.85 CDK4 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30332625 0.85 CDK4 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30302820 0.84 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1495149 0.83 PARP14 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022270428-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 — — WO disclosed
WO-2022270423-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 — — WO disclosed
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