SCHEMBL7069245

SCHEMBL7069245

COc1cccc(Nc2ccc(S(=O)(=O)O)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 6/20 0.62
▸ MTNR1A P48039 4/20 0.62
▸ SNCA P37840 2/20 0.59
▸ EGFR P00533 1/20 0.57
▸ ERBB3 P21860 1/20 0.57
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ POLB P06746 1/20 0.54
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10791668 0.84 SNCA (0.69) SNCAMEN1KMT2APOLBLMNA
SCHEMBL1921496 0.83 MTNR1B (0.72) MTNR1BMTNR1AEGFRMEN1KMT2A
Sulfuric Acid SCHEMBL11063970 0.83 MTNR1B (0.60) MTNR1BMTNR1AMEN1KMT2APOLB
SCHEMBL9479608 0.80 MTNR1B (0.68) MTNR1BMTNR1AMEN1KMT2APOLB
SCHEMBL9479511 0.80 MTNR1B (0.68) MTNR1BMTNR1AMEN1KMT2APOLB
SCHEMBL2112594 0.80 KMT2A (0.71) MTNR1BMTNR1AMEN1KMT2APOLB
SCHEMBL30741237 0.80 KMT2A (0.71) MTNR1BMTNR1AMEN1KMT2APOLB
SCHEMBL30741242 0.80 KMT2A (0.71) MTNR1BMTNR1AMEN1KMT2APOLB
SCHEMBL10455386 0.80 SNCA (0.72) SNCAMEN1KMT2AMAPTMAPK1
SCHEMBL1085867 0.80 MEN1 (0.71) MTNR1BMTNR1AEGFRERBB3MEN1

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
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