SCHEMBL28487176

SCHEMBL28487176

Nc1c2ccccc2c(N)c2c(-c3cc(C4CCCCC4)cc(C4CCCCC4)c3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HKDC1 Q2TB90 1/20 0.39
▸ KMO O15229 1/20 0.37
▸ CYP11B2 P19099 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ S1PR1 P21453 2/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ PTPRC P08575 1/20 0.31
▸ PTPRF P10586 1/20 0.31

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
SCHEMBL28484644 0.89 DHODH (0.39) HKDC1KMOCYP11B2PDK2DHODH
SCHEMBL4798872 0.72 ALDH1A1 (0.46) HKDC1CRHBPCRHR2KEAP1NFE2L2
SCHEMBL28523721 0.71 DHODH (0.38) PDK2DHODHS1PR1S1PR5TDP1
SCHEMBL27521144 0.70 HSD17B10 (0.43) HKDC1CRHBPCRHR2KEAP1NFE2L2
SCHEMBL21333922 0.69 RXRA (0.39) HKDC1CRHBPCRHR2KEAP1NFE2L2
SCHEMBL25880407 0.69 PDK2 (0.34) PDK2DHODHCRHBPCRHR2S1PR1
SCHEMBL25823003 0.69 L3MBTL1 (0.44) KMODHODHS1PR1S1PR5TDP1
SCHEMBL29444820 0.68 MAP4K4 (0.50) HKDC1KEAP1NFE2L2L3MBTL1MEN1
SCHEMBL7857830 0.67 KMO (0.51) KMOCYP11B2PDK2HDAC4HDAC2
SCHEMBL27888667 0.67 NPC1 (0.39) HKDC1CRHBPCRHR2KEAP1NFE2L2

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-111954939-A Light-emitting element, display device, electronic device, organic compound, and lighting device 株式会社半导体能源研究所 2020-11-17 — — CN disclosed
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