SCHEMBL24401752

SCHEMBL24401752

O=C(CNC(=O)OCc1ccccc1)Oc1c(Cl)cc(Cl)cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACLY P53396 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
KAT2B Q92831 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
SCHEMBL11825048 0.78 ATM (0.52) LMNAMEN1ALDH1A1KMT2AKDM4E
SCHEMBL7336448 0.73 ATM (0.52) LMNAMEN1ALDH1A1KMT2AKDM4E
SCHEMBL7176512 0.72 ATM (0.62) LMNAMEN1ALDH1A1KMT2AKDM4E
SCHEMBL10081124 0.72 LMNA (0.63) LMNAMEN1ALDH1A1KMT2AHTT
SCHEMBL11063982 0.71 LMNA (0.54) LMNAMEN1ALDH1A1KMT2AKDM4E
SCHEMBL13342773 0.71 MEN1 (0.53) LMNAMEN1ALDH1A1KMT2AKDM4E
SCHEMBL10641387 0.70 LMNA (0.61) LMNAALDH1A1HTTATMSMN1; SMN2
SCHEMBL1171418 0.70 LMNA (0.56) LMNAMEN1ALDH1A1KMT2AHTT
SCHEMBL2065470 0.69 SMN1; SMN2 (0.59) LMNAMEN1ALDH1A1KMT2AKDM4E
SCHEMBL21294313 0.69 ACLY (0.41) LMNAACLYCA1CA2CA9

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
WO-2022090448-A1 NOVEL ACYLATING REAGENTS NOVO NORDISK A/S (DK) 2022-05-05 WO disclosed