SCHEMBL7733315

SCHEMBL7733315

Cc1ccc(N)c(S(=O)(=O)O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 5/20 0.38
CYP3A4 P08684 4/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 3/20 0.38
CASP1 P29466 3/20 0.38
NT5E P21589 2/20 0.38
HPGD P15428 2/20 0.38
RECQL P46063 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CASP7 P55210 1/20 0.38
TSHR P16473 4/20 0.35
MAPT P10636 2/20 0.35
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PAX8 Q06710 1/20 0.34
MEN1 O00255 2/20 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
SCHEMBL428171 0.87 TSHR (0.39) ALDH1A1TDP1CYP3A4HSD17B10GAA
SCHEMBL11579509 0.85 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4HSD17B10GAA
SCHEMBL8752103 0.83 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4HSD17B10GAA
SCHEMBL2868079 0.82 TDP2 (0.39) ALDH1A1TDP1CYP3A4HSD17B10GAA
SCHEMBL11810695 0.82 AURKA (0.42) ALDH1A1TDP1CYP3A4HSD17B10GAA
SCHEMBL28054299 0.82 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4HSD17B10GAA
SCHEMBL9211904 0.82 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4HSD17B10GAA
SCHEMBL4486401 0.81 CA1 (0.37) ALDH1A1TDP1CYP3A4GAACASP1
SCHEMBL7554123 0.80 ALDH1A1 (0.40) ALDH1A1TDP1CYP3A4HSD17B10GAA
SCHEMBL4991882 0.80 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407220-B1 FOR DYEING AND PRINTING OF MATERIALS CONTAINING CELLULOSE FIBERS; HIGH FIXATION AND GOOD BUILD-UP EVERLIGHT USA, INC. 2002-06-18 US disclosed
EP-0777703-A2 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME Kyungin Synthetic Corporation (KR) 1997-06-11 EP disclosed
WO-1996033240-A2 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME KYUNG-IN SYNTHETIC CORPORATION (KR) 1996-10-24 WO disclosed
EP-0374815-A1 Complex copper formazane compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-27 EP disclosed
US-4355141-A NITROGEN-COMPOUND CONTAINING RESOLE RESIN PREVENTS STICKING MITSUI TOATSU CHEMICAL, INC. (JP) 1982-10-19 US disclosed
US-4016182-A Process for the production of aminoanthraquinone compounds SANDOZ LTD. (CH) 1977-04-05 US disclosed