SCHEMBL14557607

SCHEMBL14557607

CCC(/C=C1\Sc2ccc(Cl)cc2N1CCCCS(=O)(=O)O)=C\c1sc2ccc(Cl)cc2[n+]1CC(=O)NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ THRB P10828 3/20 0.47
▸ RECQL P46063 3/20 0.47
▸ BLM P54132 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ RAD52 P43351 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 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
SCHEMBL14286873 1.00 MAPT (0.47) MAPTMEN1THRBRECQLBLM
SCHEMBL14072244 0.89 MAPT (0.47) MAPTMEN1THRBRECQLBLM
SCHEMBL9664808 0.89 MAPT (0.56) MAPTMEN1THRBRECQLBLM
SCHEMBL13632404 0.87 MAPT (0.39) MAPTMEN1THRBRECQLBLM
Water SCHEMBL11530647 0.87 MAPT (0.53) MAPTMEN1THRBRECQLBLM
SCHEMBL8943182 0.86 MAPT (0.56) MAPTMEN1THRBRECQLBLM
SCHEMBL13588290 0.86 MAPT (0.56) MAPTMEN1THRBRECQLBLM
SCHEMBL12270728 0.86 MAPT (0.56) MAPTMEN1THRBRECQLBLM
Water SCHEMBL9329059 0.86 MAPT (0.56) MAPTMEN1THRBRECQLBLM
SCHEMBL11651657 0.85 MAPT (0.55) MAPTMEN1THRBRECQLBLM

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
US-7186500-B2 Silver halide photographic lightsensitive material FUJI PHOTO FILM CO., LTD. (JP) 2007-03-06 — — US disclosed
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