SCHEMBL29945828

SCHEMBL29945828

COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3[18F])CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 13/20 1.00
PKLR P30613 4/20 1.00
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
HTT P42858 2/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.57

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
SCHEMBL19871300 1.00 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL1725495 1.00 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL17808925 1.00 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL19858525 0.88 PKM (0.77) PKMPKLRNPC1RAB9AHTT
SCHEMBL20457189 0.86 PKM (0.75) PKMPKLRNPC1RAB9A
SCHEMBL31315853 0.84 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL1722721 0.84 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL23598057 0.84 PKM (0.73) PKMPKLRNPC1RAB9AHTT
SCHEMBL20456955 0.84 PKM (0.73) PKMPKLRHTTALDH1A1
SCHEMBL19871299 0.84 PKM (0.73) PKMPKLRHTTALDH1A1

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
EP-4081257-A1 METHODS OF NORMALIZING ABERRANT GLYCOLYTIC METABOLISM IN CANCER CELLS The Board of Trustees of the Leland Stanford Junior University (US) 2022-11-02 EP disclosed
CN-115243720-A Method for normalizing abnormal glycolytic metabolism in cancer cells 利兰·斯坦福青年大学托管委员会 2022-10-25 CN disclosed