SCHEMBL3628731

SCHEMBL3628731

COc1ccc(CC(C)[C@@H](NC[C@H](O)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ADRB2 P07550 8/20 0.42
▸ ADRB3 P13945 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CTSV O60911 3/20 0.41
▸ CTSL P07711 3/20 0.41
▸ ADRB1 P08588 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ PGR P06401 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ PTGS2 P35354 1/20 0.40

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
SCHEMBL7051037 0.90 ADRB2 (0.54) ADRB2ADRB3MAPK1ADRB1DRD2
SCHEMBL7051039 0.90 ADRB2 (0.54) ADRB2ADRB3MAPK1ADRB1DRD2
SCHEMBL9360727 0.81 MEN1 (0.49) KMT2AMAPTMEN1ALDH1A1ADRB2
SCHEMBL10661432 0.80 ADRB2 (0.49) KMT2AMAPTMEN1ADRB2ADRB3
SCHEMBL2174086 0.80 KMT2A (0.44) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL2174081 0.80 KMT2A (0.44) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL2182547 0.80 KMT2A (0.44) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL13074414 0.79 KMT2A (0.42) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL1134236 0.79 KMT2A (0.42) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL29368044 0.79 KMT2A (0.42) KMT2AMAPTMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010128355-A2 IMPROVED PROCESSES FOR PREPARING SUBSTANTIALLY PURE ARFORMOTEROL AND ITS INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2010-11-11 — — WO disclosed
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