SCHEMBL6366161

SCHEMBL6366161

Cc1sc2ccc(C(F)(F)F)cc2[n+]1CCCS(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
THRB P10828 2/20 0.55
RECQL P46063 2/20 0.55
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 4/20 0.44
HSD17B10 Q99714 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 2/20 0.37
TSHR P16473 1/20 0.37
ACP1 P24666 1/20 0.36
POLB P06746 1/20 0.36
DYRK1A Q13627 2/20 0.34
APOBEC3A P31941 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34

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 0.81 MAPT (0.62) MAPTTHRBRECQLALDH1A1KDM4E
SCHEMBL9226505 0.81 MAPT (0.62) MAPTTHRBRECQLALDH1A1KDM4E
Water SCHEMBL10600149 0.81 MAPT (0.61) MAPTTHRBRECQLALDH1A1KDM4E
SCHEMBL5675161 0.80 HPGD (0.66) MAPTTHRBRECQLALDH1A1KDM4E
SCHEMBL13172599 0.79 MAPT (0.55) MAPTTHRBRECQLALDH1A1KDM4E
Water SCHEMBL1046380 0.79 HPGD (0.64) MAPTTHRBRECQLALDH1A1KDM4E
SCHEMBL3191322 0.78 HSD17B10 (0.59) MAPTTHRBRECQLALDH1A1KDM4E
Water SCHEMBL1044054 0.77 HSD17B10 (0.58) MAPTTHRBRECQLALDH1A1KDM4E
SCHEMBL6556048 0.75 HSD17B10 (0.58) MAPTTHRBRECQLALDH1A1KDM4E
SCHEMBL10747902 0.75 HSD17B10 (0.61) MAPTTHRBRECQLALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889363-B1 Near IR sensitive photoimageable/photopolymerizable compositions, media, and associated processes DU PONT (US) 2005-10-05 EP disclosed
US-6861201-B2 Near IR sensitive photoimageable/photopolymerizable compositions, media, and associated processes E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-01 US disclosed
US-20040191681-A1 Near IR sensitive photoimageable/photopolymerizable compositions, media, and associated processes WEED GREGORY C 2004-09-30 US disclosed
US-20020064728-A1 Near IR sensitive photoimageable/photopolymerizable compositions, media, and associated processes E.I. DU PONT DE NEMOURS AND COMPANY 2002-05-30 US disclosed
EP-0889363-A1 Near IR sensitive photoimageable/photopolymerizable compositions, media, and associated processes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-07 EP disclosed