SCHEMBL369643

SCHEMBL369643

COc1ccc(C(=O)C(Cc2ccc(Br)cc2)c2cccc(C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
LMNA P02545 4/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MITF O75030 1/20 0.43
HIF1A Q16665 1/20 0.43
CCKAR P32238 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CTSL P07711 2/20 0.42

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
SCHEMBL369940 0.87 LMNA (0.46) RAB9ALMNAKMT2AMEN1MAPT
SCHEMBL13305527 0.82 ALDH1A1 (0.53) RAB9ALMNAKMT2ANPSR1MEN1
SCHEMBL370420 0.79 PTGFR (0.47) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2922282 0.78 MITF (0.59) RAB9ALMNAKMT2AMEN1MAPT
SCHEMBL1395269 0.78 MAPT (0.39) RAB9ALMNAKMT2AMEN1MAPT
SCHEMBL1395400 0.77 FAAH (0.45) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1395396 0.77 FAAH (0.45) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL11775180 0.74 POLB (0.56) RAB9ALMNAKMT2ANPSR1MEN1
SCHEMBL28067587 0.73 ALDH1A1 (0.57) RAB9ALMNAKMT2ANPSR1MEN1
SCHEMBL21579875 0.73 CA1 (0.58) RAB9ALMNAKMT2AMEN1MAPT

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed