SCHEMBL18465895

SCHEMBL18465895

CC/N=c1\ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCCOCCOCCS)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ CHRM1 P11229 2/20 0.40
▸ AVPR2 P30518 4/20 0.40
▸ SLC6A4 P31645 9/20 0.39
▸ SLC6A2 P23975 5/20 0.39
▸ SLC6A3 Q01959 5/20 0.39
▸ APLNR P35414 1/20 0.36
▸ OXTR P30559 1/20 0.35

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
SCHEMBL12832288 0.85 MEN1 (0.55) MEN1USP2POLBPPARGBLM
SCHEMBL14351072 0.84 MEN1 (0.37) MEN1USP2POLBPPARGBLM
SCHEMBL14693179 0.83 MEN1 (0.53) MEN1USP2POLBPPARGBLM
SCHEMBL13286886 0.81 MEN1 (0.63) MEN1USP2POLBPPARGBLM
SCHEMBL15200494 0.81 MEN1 (0.63) MEN1USP2POLBPPARGBLM
SCHEMBL14553429 0.81 MEN1 (0.44) MEN1USP2POLBPPARGBLM
SCHEMBL14553400 0.79 MEN1 (0.43) MEN1USP2POLBPPARGBLM
SCHEMBL17814732 0.77 MEN1 (0.49) MEN1USP2POLBPPARGBLM
SCHEMBL16181481 0.76 CA12 (0.48) —
SCHEMBL1083752 0.76 MEN1 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017017063-A2 NANOPARTICLE-BASED LIVER-TARGETING THERAPY AND IMAGING MIDATECH LIMITED (GB) 2017-02-02 — — WO disclosed
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