SCHEMBL28909765

SCHEMBL28909765

O=C(O)c1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
CASP6 P55212 1/20 0.62
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57
HCAR3 P49019 11/20 0.56
VCAM1 P19320 1/20 0.51
APEX1 P27695 1/20 0.49

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
SCHEMBL9185447 0.98 CASP6 (0.64) POLBCASP6MEN1KMT2ATSHR
SCHEMBL7591997 0.85 CASP6 (0.64) POLBCASP6MEN1KMT2ATSHR
SCHEMBL20572634 0.84 POLB (0.62) POLBCASP6MEN1KMT2ATSHR
SCHEMBL3530451 0.84 VCAM1 (0.71) POLBCASP6MEN1KMT2ATSHR
SCHEMBL6003204 0.84 POLB (0.62) POLBCASP6MEN1KMT2ATSHR
SCHEMBL9183692 0.84 POLB (0.62) POLBCASP6MEN1KMT2ATSHR
SCHEMBL9658195 0.82 POLB (0.56) POLBCASP6MEN1KMT2ATSHR
SCHEMBL9499862 0.81 POLB (0.59) POLBCASP6MEN1KMT2ATSHR
SCHEMBL19071961 0.80 VCAM1 (0.79) POLBLMNAVCAM1
SCHEMBL9658192 0.79 POLB (0.56) POLBCASP6MEN1KMT2ATSHR

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-108602762-B Linker molecules and their use in methods for purifying peptides 贝兰迪克有限责任公司 2022-12-16 CN disclosed