SCHEMBL11209876

SCHEMBL11209876

CC(=O)Nc1ccc(Cl)c(NCC(C)O)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 5/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ PYGL P06737 1/20 0.46
▸ SLC6A3 Q01959 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ATAD2 Q6PL18 1/20 0.42
▸ CECR2 Q9BXF3 1/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL3791892 0.80 ALDH1A1 (0.60) RORCKMT2AALDH1A1MEN1PYGL
SCHEMBL9620020 0.78 MAPT (0.69) KMT2AALDH1A1MEN1CYP2D6SMN1; SMN2
SCHEMBL8919414 0.77 HTT (0.54) RORCKMT2AALDH1A1PYGLSMN1; SMN2
SCHEMBL11122134 0.76 KMT2A (0.58) RORCKMT2AALDH1A1MEN1PYGL
SCHEMBL11121064 0.75 TDP1 (0.50) RORCKMT2AALDH1A1MEN1PYGL
SCHEMBL7936658 0.74 KMT2A (0.54) RORCKMT2AALDH1A1MEN1PYGL
SCHEMBL11570598 0.73 MAPT (0.51) RORCKMT2AMEN1CYP2D6SMN1; SMN2
SCHEMBL9472463 0.73 PYGL (0.50) RORCKMT2AALDH1A1MEN1PYGL
SCHEMBL14341158 0.73 PYGL (0.50) RORCKMT2AALDH1A1MEN1PYGL
SCHEMBL4548035 0.72 EPHX1 (0.70) RORCKMT2AMEN1CYP3A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4332588-A Disperse dye stable to dyeing, and its use for dyeing and printing synthetic and semi-synthetic fibre materials CIBA-GEIGY CORPORATION (US) 1982-06-01 — — US disclosed
US-4329144-A Disperse dye stable to dyeing, and its use for dyeing and printing synthetic and semi-synthetic fibre materials CIBA-GEIGY CORPORATION (US) 1982-05-11 — — US disclosed
EP-0032109-A1 Colour-fast dispersion dyestuff and its use in dyeing and printing synthetic or semi-synthetic fibrous materials CIBA-GEIGY AG (CH) 1981-07-15 — — EP disclosed
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