SCHEMBL28620120

SCHEMBL28620120

O=c1ccc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2o1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.72
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
BRD4 O60885 1/20 0.64
PTPN2 P17706 5/20 0.61
PTPN1 P18031 5/20 0.61
PTPN5 P54829 5/20 0.61
HSPD1 P10809 2/20 0.61
HSPE1 P61604 2/20 0.61
KDM4E B2RXH2 2/20 0.60
CES1 P23141 1/20 0.55
CYP19A1 P11511 1/20 0.54

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
SCHEMBL28607455 0.86 PKM (0.67) PKMMEN1KMT2ABRD4PTPN2
SCHEMBL28607575 0.84 PKM (0.72) PKMMEN1KMT2APTPN2PTPN1
SCHEMBL28614348 0.83 BRD4 (0.73) PKMMEN1KMT2ABRD4PTPN2
SCHEMBL28608539 0.83 PKM (0.91) PKMMEN1KMT2ABRD4PTPN2
SCHEMBL28611821 0.83 PKM (0.64) PKMMEN1KMT2ABRD4PTPN2
SCHEMBL5124261 0.81 SLC10A6 (0.61) PKMMEN1KMT2ABRD4KDM4E
SCHEMBL28920614 0.79 PKM (0.62) PKMMEN1KMT2ABRD4PTPN2
SCHEMBL28607830 0.78 BRD4 (1.00) PKMMEN1KMT2ABRD4PTPN2
SCHEMBL3086551 0.77 CA12 (0.60) PKMMEN1KMT2ABRD4KDM4E
SCHEMBL8279489 0.77 PKM (0.65) PKMMEN1KMT2ABRD4PTPN2

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-109824640-B Coumarin compound and pharmaceutical composition, preparation method and application thereof 浙江省医学科学院 2021-06-29 CN disclosed