SCHEMBL369941

SCHEMBL369941

Cc1ccc(C(CC(=O)c2ccc(O)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 3/20 0.48
NPC1 O15118 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 2/20 0.47
MGAM O43451 2/20 0.45
SI P14410 2/20 0.45
MGAM2 Q2M2H8 2/20 0.45
GSK3B P49841 2/20 0.45
HSP90AA1 P07900 1/20 0.44
KCNH2 Q12809 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 1/20 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
SCHEMBL369644 0.85 LMNA (0.55) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL1390278 0.82 MGAM (0.52) KMT2APOLBMEN1GAANPC1
SCHEMBL371358 0.80 GAA (0.46) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL370421 0.79 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1
SCHEMBL370259 0.79 KMT2A (0.40) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL17387460 0.78 KMT2A (0.42) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL27895847 0.78 MGAM (0.62) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL1390427 0.77 GPBAR1 (0.41) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL1395270 0.77 KMT2A (0.39) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL28727241 0.77 ALDH1A1 (0.49) KMT2APOLBMEN1ALDH1A1MAPT

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