SCHEMBL16023556

SCHEMBL16023556

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

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.74
▸ USP2 O75604 1/20 0.74
▸ POLB P06746 1/20 0.74
▸ PPARG P37231 1/20 0.74
▸ BLM P54132 1/20 0.74
▸ KMT2A Q03164 1/20 0.74
▸ RXFP1 Q9HBX9 1/20 0.74
▸ NCOR2 Q9Y618 1/20 0.74
▸ CHRM1 P11229 1/20 0.49
▸ SLC6A4 P31645 8/20 0.45
▸ SLC6A2 P23975 4/20 0.45
▸ SLC6A3 Q01959 4/20 0.45
▸ TGM2 P21980 1/20 0.45
▸ AVPR2 P30518 2/20 0.44
▸ APLNR P35414 1/20 0.44
▸ FPR2 P25090 3/20 0.44

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
Water SCHEMBL3840702 0.99 MEN1 (0.73) MEN1USP2POLBPPARGBLM
SCHEMBL5712581 0.94 MEN1 (0.77) MEN1USP2POLBPPARGBLM
SCHEMBL14483824 0.93 MEN1 (0.74) MEN1USP2POLBPPARGBLM
Water SCHEMBL185914 0.93 MEN1 (0.76) MEN1USP2POLBPPARGBLM
SCHEMBL29569925 0.93 MEN1 (0.79) MEN1USP2POLBPPARGBLM
SCHEMBL17267894 0.93 MEN1 (0.76) MEN1USP2POLBPPARGBLM
SCHEMBL19661354 0.92 MEN1 (0.75) MEN1USP2POLBPPARGBLM
Water SCHEMBL7715723 0.92 MEN1 (0.75) MEN1USP2POLBPPARGBLM
SCHEMBL1083748 0.91 MEN1 (0.74) MEN1USP2POLBPPARGBLM
SCHEMBL860877 0.90 MEN1 (0.72) 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
WO-2014134716-A9 SUBSTITUTED ORGANOFLUOROBORATES AS IMAGING AGENTS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-11-20 — — WO disclosed
WO-2014134716-A1 SUBSTITUTED ORGANOFLUOROBORATES AS IMAGING AGENTS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-09-12 — — WO disclosed
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