SCHEMBL7755609

SCHEMBL7755609

Nc1cccc2c(OS(=O)(=O)O)cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.55
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
IDO1 P14902 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
TDP2 O95551 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDO2 P48775 1/20 0.42
BLM P54132 1/20 0.42
CASP6 P55212 1/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL29414155 0.89 IDO1 (0.53) TTRALDH1A1TDP1CYP3A4HPGD
SCHEMBL11124814 0.89 IDO1 (0.53) TTRALDH1A1TDP1CYP3A4HPGD
SCHEMBL10647420 0.88 SLC22A6 (0.53) TTRALDH1A1TDP1HPGDHSD17B10
SCHEMBL9816544 0.83 SLC22A6 (0.44) TTRSLC22A6MEN1KMT2AIDO1
SCHEMBL6695311 0.81 SLC22A6 (0.41) TTRALDH1A1TDP1TSHRHSD17B10
SCHEMBL5690330 0.80 ALDH1A1 (0.46) TTRALDH1A1TDP1CYP3A4TSHR
SCHEMBL30553876 0.80 ALDH1A1 (0.46) TTRALDH1A1TDP1CYP3A4TSHR
Sulfuric Acid SCHEMBL8642510 0.80 TTR (0.72) TTRALDH1A1TDP1CYP3A4HPGD
SCHEMBL6812319 0.77 ALDH1A1 (0.43) TTRALDH1A1TDP1CYP3A4HPGD
SCHEMBL6037265 0.77 CA2 (0.50) TDP1SLC22A6MEN1KMT2AESR1

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-0669380-B1 Process for the preparation of azo dyes CIBA SC HOLDING AG (CH) 2001-03-28 EP disclosed
EP-0395587-B1 Method for controlling and optimizing industrial processes for manufacturing dyes CIBA GEIGY AG (CH) 1997-03-12 EP disclosed
EP-0669380-A2 Process for the preparation of azo dyes CIBA-GEIGY AG (CH) 1995-08-30 EP disclosed
EP-0395587-A2 Method for controlling and optimizing industrial processes for manufacturing dyes CIBA-GEIGY AG (CH) 1990-10-31 EP disclosed