SCHEMBL28678247

SCHEMBL28678247

O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
IL1RN P18510 1/20 0.60
KEAP1 Q14145 1/20 0.60
ERAP1 Q9NZ08 1/20 0.60
WDR5 P61964 1/20 0.59
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
POLB P06746 3/20 0.58
CYP1A2 P05177 1/20 0.58
PFKFB3 Q16875 1/20 0.57
PTK2B Q14289 1/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 2/20 0.56
AKR1C3 P42330 1/20 0.56
CA1 P00915 1/20 0.53

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
SCHEMBL4063367 0.86 PFKFB3 (0.76) HDAC2HDAC8HDAC6POLBPFKFB3
SCHEMBL30702319 0.86 PFKFB3 (0.76) HDAC2HDAC8HDAC6POLBPFKFB3
SCHEMBL30702318 0.86 PFKFB3 (0.76) HDAC2HDAC8HDAC6POLBPFKFB3
SCHEMBL10487708 0.86 WDR5 (0.73) HDAC2HDAC8HDAC6IL1RNKEAP1
SCHEMBL3715141 0.84 CA12 (0.75) IL1RNKEAP1ERAP1CA12CA9
SCHEMBL25311928 0.83 ALDH1A1 (0.61) HDAC2HDAC8HDAC6IL1RNKEAP1
SCHEMBL9818397 0.82 WDR5 (0.69) HDAC2HDAC8HDAC6IL1RNKEAP1
SCHEMBL893905 0.80 CA12 (0.73) HDAC2HDAC8HDAC6IL1RNKEAP1
SCHEMBL894613 0.79 POLB (0.82) HDAC2HDAC8HDAC6IL1RNKEAP1
SCHEMBL28930344 0.78 IL1RN (0.64) HDAC2HDAC8HDAC6IL1RNKEAP1

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-113817152-B Flame-retardant anti-dripping copolyester based on high-temperature self-crosslinking and preparation method and application thereof 四川大学 2022-11-11 CN disclosed
CN-113817152-A Flame-retardant anti-dripping copolyester based on high-temperature self-crosslinking and preparation method and application thereof 四川大学 2021-12-21 CN disclosed