SCHEMBL26059117

SCHEMBL26059117

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5ccc6c7ccccc7[nH]c6c54)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.40
▸ TDO2 P48775 4/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ HTR5A P47898 2/20 0.38
▸ KIF11 P52732 2/20 0.37
▸ GABRP O00591 3/20 0.36
▸ GABRD O14764 3/20 0.36
▸ GABRA1 P14867 3/20 0.36
▸ GABRB1 P18505 3/20 0.36
▸ GABRG2 P18507 3/20 0.36
▸ GABRB3 P28472 3/20 0.36
▸ GABRA5 P31644 3/20 0.36
▸ GABRA3 P34903 3/20 0.36
▸ GABRA2 P47869 3/20 0.36
▸ GABRB2 P47870 3/20 0.36
▸ GABRA4 P48169 3/20 0.36
▸ GABRE P78334 3/20 0.36
▸ GABRA6 Q16445 3/20 0.36
▸ GABRG1 Q8N1C3 3/20 0.36
▸ GABRG3 Q99928 3/20 0.36

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
SCHEMBL26060228 0.99 NQO2 (0.40) NQO2TDO2HTR2BHTR5AKIF11
SCHEMBL26059135 0.96 NQO2 (0.37) NQO2TDO2HTR2BHTR5AKIF11
SCHEMBL26059163 0.95 NQO2 (0.36) NQO2TDO2HTR2BHTR5AKIF11
SCHEMBL26060544 0.92 NQO2 (0.38) NQO2TDO2HTR2BHTR5AKIF11
SCHEMBL21217325 0.88 TDO2 (0.41) NQO2TDO2HTR2BHTR5AKIF11
SCHEMBL19245324 0.87 TDO2 (0.40) NQO2TDO2HTR2BHTR5AKIF11
SCHEMBL19474421 0.87 TDO2 (0.40) NQO2TDO2HTR2BHTR5AKIF11
SCHEMBL25660863 0.87 CDK4 (0.36) NQO2TDO2HTR2BHTR5AKIF11
SCHEMBL17050884 0.87 TDO2 (0.42) NQO2TDO2HTR2BHTR5AKIF11
SCHEMBL31478071 0.87 TDO2 (0.42) NQO2TDO2HTR2BHTR5AKIF11

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
EP-4235831-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2023-08-30 — — EP disclosed
EP-4234556-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2023-08-30 — — EP disclosed
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