SCHEMBL7069435

SCHEMBL7069435

COc1ccccc1N(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ALDH1A1 P00352 2/20 0.42
HTR6 P50406 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PAX8 Q06710 1/20 0.39
TLR9 Q9NR96 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7076427 0.77 ESR1 (0.41) ESR1ALDH1A1LMNACA12CA9
SCHEMBL11651167 0.77 HPGD (0.50) ESR1ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL7069246 0.76 KDM4E (0.50) ALDH1A1HPGDCA4KMT2AMAPK1
SCHEMBL9822605 0.76 ESR1 (0.47) ESR1HTR6SMN1; SMN2HPGDLMNA
SCHEMBL450584 0.75 ESR1 (0.52) ESR1ALDH1A1HTR6SMN1; SMN2HPGD
SCHEMBL6842944 0.75 ESR1 (0.46) ESR1ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL2916785 0.74 ESR1 (0.41) ESR1HTR6SMN1; SMN2CA12CA1
SCHEMBL415688 0.73 ESR1 (0.50) ESR1ALDH1A1HTR6SMN1; SMN2HPGD
SCHEMBL11322994 0.73 ESR1 (0.50) ESR1ALDH1A1HTR6SMN1; SMN2HPGD
SCHEMBL11308673 0.73 ESR1 (0.50) ESR1ALDH1A1HTR6SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090962-B1 Dye mixtures of fiber-reactive azo dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-05-14 EP disclosed
EP-1090962-A2 Dye mixtures of fiber-reactive azo dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-04-11 EP disclosed