SCHEMBL28614348

SCHEMBL28614348

O=c1ccc2cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)ccc2o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.73
PKM P14618 6/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
ITGA1 P56199 3/20 0.54
PPARG P37231 1/20 0.50
HSPD1 P10809 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN5 P54829 1/20 0.49
HSPE1 P61604 1/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
NLRP1 Q9C000 1/20 0.49
IDH1 O75874 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL28920614 0.86 PKM (0.62) BRD4PKMMEN1KMT2AHSPD1
SCHEMBL28607830 0.85 BRD4 (1.00) BRD4PKMMEN1KMT2APPARG
SCHEMBL28620120 0.83 PKM (0.72) BRD4PKMMEN1KMT2AHSPD1
SCHEMBL3086551 0.78 CA12 (0.60) BRD4PKMMEN1KMT2AMAPT
SCHEMBL28620191 0.76 CA12 (0.58) BRD4PKMMEN1KMT2AMAPT
SCHEMBL4881258 0.76 PTPN2 (0.55) BRD4ITGA1PPARGHSPD1PTPN2
SCHEMBL28607455 0.75 PKM (0.67) BRD4PKMMEN1KMT2AHSPD1
SCHEMBL4883514 0.73 FBP1 (0.53) MEN1KMT2AITGA1PPARGMAPT
SCHEMBL28606739 0.73 BRD4 (0.74) BRD4PKMMEN1KMT2APPARG
SCHEMBL28607575 0.73 PKM (0.72) PKMMEN1KMT2AHSPD1PTPN2

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