SCHEMBL31513486

SCHEMBL31513486

Brc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2ccccc2-c2sccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.44
▸ PTPRC P08575 2/20 0.34
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ TDP2 O95551 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL23568056 1.00 PDK2 (0.44) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL23568673 1.00 PDK2 (0.44) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL18334648 0.87 PDK2 (0.37) PDK2TDP2
SCHEMBL9927262 0.85 PTPRC (0.39) PDK2PTPRCKDM4EMAPTMEN1
SCHEMBL783463 0.83 PDK2 (0.58) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL29574412 0.83 PDK2 (0.58) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL29602609 0.83 PDK2 (0.58) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL996751 0.83 PDK2 (0.58) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL783450 0.83 PDK2 (0.58) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL29399278 0.83 PDK2 (0.58) PDK2PTPRCOPRM1OPRD1KDM4E

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-115960095-B Organic compound containing benzoxazole group and spiro structure and use thereof as electron transport material 京东方科技集团股份有限公司 2025-03-14 — — CN disclosed
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