SCHEMBL7639446

SCHEMBL7639446

COc1cc(Cl)cc(N(CCOS(=O)(=O)O)CCOS(=O)(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.33
▸ ACLY P53396 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ BCL2A1 Q16548 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL7643237 0.83 MAPT (0.37) MAPTALDH1A1MEN1KMT2ACNR2
SCHEMBL7641592 0.77 MAPT (0.56) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL7640487 0.73 ESR1 (0.49) MAPTKDM4EMTNR1AMTNR1BALDH1A1
SCHEMBL11041203 0.72 MAPT (0.50) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL7638488 0.72 MAPT (0.46) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL7643415 0.71 SMN1; SMN2 (0.38) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL241158 0.69 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL7642077 0.69 ALDH1A1 (0.52) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL21614162 0.68 ALDH1A1 (0.46) ALDH1A1CNR2
SCHEMBL4339833 0.68 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1CNR2

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
US-6464734-B1 USED FOR DYEING OR PRINTING HYDROXYL AND/OR CARBOXAMIDO CONTAINING MATERIALS SUCH AS POLYVINYL ALCOHOL, POLYURETHANES AND POLYAMIDES; WASHFASTNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-10-15 — — US disclosed
EP-1134260-A1 Deep black dye mixtures of fiber-reactive azo dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-09-19 — — EP disclosed
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