SCHEMBL2182547

SCHEMBL2182547

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAOB P27338 3/20 0.43
▸ ABCB1 P08183 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CTSV O60911 3/20 0.40
▸ CTSL P07711 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ ALOX5 P09917 1/20 0.38

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
SCHEMBL2174086 1.00 KMT2A (0.44) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL2174081 1.00 KMT2A (0.44) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL9365132 0.94 MEN1 (0.43) KMT2AMAPTMEN1HPGDMAOB
SCHEMBL29368044 0.87 KMT2A (0.42) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL1134236 0.87 KMT2A (0.42) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL13074414 0.87 KMT2A (0.42) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL28138552 0.86 KMT2A (0.41) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL28923195 0.82 KMT2A (0.42) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL7051037 0.81 ADRB2 (0.54) MAPK1
SCHEMBL7051039 0.81 ADRB2 (0.54) MAPK1

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-2348013-A1 Process for preparation of intermediates of arformoterol INKE, S.A. (ES) 2011-07-27 — — EP claimed
EP-2348013-A1 Process for preparation of intermediates of arformoterol INKE, S.A. (ES) 2011-07-27 — — EP disclosed
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