SCHEMBL28807804

SCHEMBL28807804

OCc1ccc(CNCc2ccccc2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ LDHA P00338 1/20 0.48
▸ LDHB P07195 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ THRB P10828 2/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ MAOA P21397 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ G6PC1 P35575 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CHRM2 P08172 1/20 0.41

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
Sulfuric Acid SCHEMBL28807803 0.92 CA2 (0.68) CA1CA2LDHALDHBTDP1
SCHEMBL16296096 0.90 CA1 (0.64) CA1CA2LDHALDHBTDP1
SCHEMBL11368295 0.84 GAA (0.55) CA1CA2TDP1MEN1KMT2A
SCHEMBL28807799 0.81 CA1 (0.59) CA1CA2LDHALDHBTDP1
SCHEMBL12200819 0.78 CHRM2 (0.56) CA1CA2LDHALDHBTDP1
SCHEMBL9338807 0.76 TDP1 (0.50) TDP1TP53G6PC1TSHRMAPT
SCHEMBL6810994 0.75 CA1 (0.56) CA1CA2LDHALDHBTDP1
SCHEMBL29719836 0.75 CA2 (0.63) CA1CA2LDHALDHBTDP1
SCHEMBL1654 0.74 MEN1 (0.78) TDP1THRBIDO1MEN1KMT2A
Benzene SCHEMBL11697595 0.74 MEN1 (0.78) TDP1THRBIDO1MEN1KMT2A

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
CN-114573530-B Preparation method of biomass alcohol ionic liquid 山东农业大学 2023-07-28 — — CN disclosed
CN-114573530-A Preparation method of biomass alcohol ionic liquid 山东农业大学 2022-06-03 — — CN disclosed
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