SCHEMBL30274155

SCHEMBL30274155

O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC3(CC2)OCCO3)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NR3C1 P04150 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4431573 0.84 MEN1 (0.57) POLBKDM4ETSHRALDH1A1LMNA
SCHEMBL4428749 0.81 ALDH1A1 (0.60) POLBKDM4ETSHRALDH1A1LMNA
SCHEMBL31692132 0.79 TSHR (0.47) POLBKDM4ENR3C1TSHRALDH1A1
SCHEMBL30273732 0.75 POLB (0.41) POLBKDM4EALDH1A1LMNAMAPT
SCHEMBL4428794 0.74 LMNA (0.53) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL12386396 0.72 KDM4E (0.71) POLBKDM4EALDH1A1LMNA
SCHEMBL5325263 0.71 CYP2C9 (0.49) TSHRALDH1A1LMNAMAPT
SCHEMBL30274022 0.70 NR3C1 (0.41) POLBKDM4ENR3C1TSHRALDH1A1
SCHEMBL7131786 0.70 TSHR (0.62) POLBTSHRALDH1A1LMNAMEN1
SCHEMBL28572837 0.70 KMT2A (0.38) POLBKDM4ETSHRALDH1A1LMNA

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-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 WO disclosed