SCHEMBL29061576

SCHEMBL29061576

CC1(C)c2cc(Br)ccc2-c2ccc(P(=O)(c3ccc4c(c3)C(C)(C)c3cc(Br)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(Br)ccc3-4)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.37
▸ PDK2 Q15119 1/20 0.35
▸ S100A4 P26447 1/20 0.34
▸ AKR1A1 P14550 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CMA1 P23946 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ METAP1 P53582 1/20 0.31
▸ PTPRC P08575 1/20 0.31
▸ PDE4B Q07343 1/20 0.30
▸ MALT1 Q9UDY8 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
SCHEMBL30592714 1.00 TDP2 (0.37) TDP2PDK2S100A4AKR1A1AKR1B1
SCHEMBL26626377 0.90 PDK2 (0.35) TDP2PDK2S100A4AKR1A1AKR1B1
SCHEMBL30592713 0.86 PDK2 (0.37) PDK2S100A4LMNAMEN1KMT2A
SCHEMBL29587737 0.83 PDK2 (0.44) TDP2PDK2S100A4AKR1A1AKR1B1
SCHEMBL204806 0.83 PDK2 (0.44) TDP2PDK2S100A4AKR1A1AKR1B1
SCHEMBL29403081 0.83 PDK2 (0.44) TDP2PDK2S100A4AKR1A1AKR1B1
SCHEMBL19718265 0.81 PGR (0.36) PDK2LMNAMEN1KMT2A
SCHEMBL3799675 0.81 LMNA (0.43) LMNACA2CA4MEN1ALDH1A1
SCHEMBL10042625 0.81 NPSR1 (0.35) TDP2PDK2LMNAMEN1KMT2A
SCHEMBL5013191 0.79 PDK2 (0.42) TDP2PDK2S100A4AKR1A1AKR1B1

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-116462709-A Phosphate group-containing compound, preparation method thereof and application thereof in perovskite light-emitting device 中国科学院长春应用化学研究所 2023-07-21 — — CN disclosed
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