SCHEMBL8517706

SCHEMBL8517706

Cc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.77
THRB P10828 2/20 0.77
RECQL P46063 2/20 0.77
ALDH1A1 P00352 5/20 0.65
HPGD P15428 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 2/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HSD17B10 Q99714 2/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 4/20 0.48
HTT P42858 2/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.39
OPRK1 P41145 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL29395167 0.87 MAPT (0.62) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL9226505 0.87 MAPT (0.62) MAPTTHRBRECQLALDH1A1HPGD
Water SCHEMBL10600149 0.86 MAPT (0.61) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL7251971 0.82 MAPT (0.73) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL3191317 0.81 MAPT (0.74) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL12201210 0.77 KDM4E (0.51) MAPTTHRBRECQLALDH1A1HPGD
Bromide SCHEMBL3288546 0.76 MAPT (0.68) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL7030602 0.75 MAPT (0.50) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL8622093 0.75 MAPT (0.49) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL7736647 0.75 MEN1 (0.74) MAPTTHRBRECQLALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648813-B1 Photographic recording material AGFA GEVAERT AG (DE) 1999-04-28 EP disclosed
US-5559240-A METHINE AND THIAZOLE DYES; STORAGE STABILITY; DISCOLORATION INHIBITION FUJI PHOTO FILM CO., LTD. (JP) 1996-09-24 US disclosed
EP-0648813-A1 Photographic recording material Agfa-Gevaert AG (DE) 1995-04-19 EP disclosed
US-5397693-A Methine dyes FUJI PHOTO FILM CO., LTD. (JP) 1995-03-14 US disclosed