SCHEMBL9816544

SCHEMBL9816544

Nc1ccc2c(OS(=O)(=O)O)cccc2c1OS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.44
TTR P02766 1/20 0.38
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ESR1 P03372 2/20 0.36
GAA P10253 2/20 0.36
ESR2 Q92731 2/20 0.36
FABP1 P07148 1/20 0.35
NR4A1 P22736 1/20 0.35
IDO1 P14902 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
MCL1 Q07820 1/20 0.32
EP300 Q09472 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32

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
SCHEMBL7755609 0.83 TTR (0.55) SLC22A6TTRAURKAAURKBMEN1
SCHEMBL10647420 0.82 SLC22A6 (0.53) SLC22A6TTRMEN1KMT2AESR1
SCHEMBL11124814 0.80 IDO1 (0.53) SLC22A6TTRAURKAAURKBMEN1
SCHEMBL29414155 0.80 IDO1 (0.53) SLC22A6TTRAURKAAURKBMEN1
SCHEMBL6695311 0.79 SLC22A6 (0.41) SLC22A6TTRAURKAAURKBMEN1
SCHEMBL11312662 0.78 F10 (0.39) SLC22A6MEN1KMT2AGAAKDM4E
SCHEMBL8017323 0.77 SLC22A6 (0.42) SLC22A6TTRMEN1KMT2AGAA
SCHEMBL5690330 0.75 ALDH1A1 (0.46) SLC22A6TTRGAAFABP1KDM4E
SCHEMBL30553876 0.75 ALDH1A1 (0.46) SLC22A6TTRGAAFABP1KDM4E
SCHEMBL3829786 0.74 FABP1 (0.49) SLC22A6MEN1KMT2AESR1GAA

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-0174909-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1991-10-16 EP disclosed
EP-0119441-B1 REACTIVE DYES WITH SUBSTITUTED 4-FLUOROPYRIDAZ-6-ONE GROUPS BASF Aktiengesellschaft (DE) 1987-02-25 EP disclosed
EP-0174909-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1986-03-19 EP disclosed
EP-0031099-B1 COMPOUNDS WITH REACTIVE RESTS AND THEIR USE IN DYEING FIBRES BASF Aktiengesellschaft (DE) 1984-07-18 EP disclosed