SCHEMBL364598

SCHEMBL364598

CC(=O)Nc1cccc(C(CC(=O)c2c[nH]c(=O)c(C)c2)c2ccc(Cl)cc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD4 O60885 1/20 0.37
MGAM O43451 3/20 0.36
GAA P10253 3/20 0.36
SI P14410 3/20 0.36
MGAM2 Q2M2H8 3/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PNP P00491 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL363191 0.90 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ABRD4
SCHEMBL363804 0.83 MGAM (0.38) MAPTMEN1KMT2ABRD4MGAM
SCHEMBL1390327 0.80 CREBBP (0.42) ALDH1A1MAPTMEN1KMT2ABRD4
SCHEMBL362297 0.75 MGAM (0.38) BRD4MGAMGAASIMGAM2
SCHEMBL364331 0.75 MGAM (0.43) MEN1KMT2ABRD4MGAMGAA
SCHEMBL365670 0.73 L3MBTL1 (0.40) ALDH1A1MAPTBRD4MGAMGAA
SCHEMBL12505663 0.73 MGAM (0.41) KMT2ABRD4MGAMGAASI
SCHEMBL370270 0.72 POLB (0.38) ALDH1A1MAPTMEN1KMT2AMGAM
SCHEMBL368192 0.72 CREBBP (0.40) ALDH1A1MAPTMEN1KMT2ABRD4
SCHEMBL368193 0.72 CREBBP (0.40) ALDH1A1MAPTMEN1KMT2ABRD4

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