SCHEMBL30064677

SCHEMBL30064677

CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.63
▸ USP2 O75604 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ PPARG P37231 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.63
▸ NCOR2 Q9Y618 1/20 0.63
▸ CHRM1 P11229 2/20 0.63
▸ SLC6A4 P31645 9/20 0.59
▸ SLC6A2 P23975 5/20 0.59
▸ SLC6A3 Q01959 5/20 0.59
▸ APLNR P35414 2/20 0.54
▸ AVPR2 P30518 2/20 0.53
▸ ITGB1 P05556 1/20 0.51
▸ ITGA5 P08648 1/20 0.51

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
SCHEMBL13991119 0.96 CHRM1 (0.57) MEN1USP2POLBPPARGBLM
SCHEMBL29367408 0.88 MEN1 (0.72) MEN1USP2POLBPPARGBLM
SCHEMBL15377173 0.84 MEN1 (0.75) MEN1USP2POLBPPARGBLM
SCHEMBL15376849 0.83 MEN1 (0.67) MEN1USP2POLBPPARGBLM
SCHEMBL29674723 0.82 MEN1 (0.79) MEN1USP2POLBPPARGBLM
SCHEMBL30063035 0.82 MEN1 (0.79) MEN1USP2POLBPPARGBLM
SCHEMBL838533 0.81 MEN1 (0.68) MEN1USP2POLBPPARGBLM
SCHEMBL13232606 0.81 MEN1 (0.68) MEN1USP2POLBPPARGBLM
SCHEMBL14351071 0.81 MEN1 (0.68) MEN1USP2POLBPPARGBLM
Hydrochloric Acid SCHEMBL19125055 0.81 MEN1 (0.78) MEN1USP2POLBPPARGBLM

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
US-11906522-B2 Glycan analysis method SHIMADZU CORPORATION (JP) 2024-02-20 — — US disclosed
CN-109923407-B Sugar chain analysis method 株式会社岛津制作所 2022-11-11 — — CN disclosed
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