SCHEMBL370259

SCHEMBL370259

Cc1ccc(C(CC(=O)c2ccc(=O)n(C)c2)c2ccc(Br)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
POLB P06746 2/20 0.40
BRD4 O60885 1/20 0.38
MGAM O43451 3/20 0.38
GAA P10253 3/20 0.38
SI P14410 3/20 0.38
MGAM2 Q2M2H8 3/20 0.38
MEN1 O00255 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL368888 0.86 MGAM (0.37) KMT2APOLBBRD4MGAMGAA
SCHEMBL1395270 0.85 KMT2A (0.39) KMT2APOLBBRD4MGAMGAA
SCHEMBL369733 0.85 GPBAR1 (0.54) KMT2ABRD4MGAMGAASI
SCHEMBL369140 0.85 GPBAR1 (0.54) KMT2ABRD4MGAMGAASI
SCHEMBL369139 0.85 GPBAR1 (0.54) KMT2ABRD4MGAMGAASI
SCHEMBL369531 0.83 BRD4 (0.51) KMT2ABRD4MGAMGAASI
SCHEMBL371139 0.82 KMT2A (0.44) KMT2ABRD4MGAMGAASI
SCHEMBL371058 0.82 GAA (0.43) KMT2ABRD4MGAMGAASI
SCHEMBL1390233 0.81 GPBAR1 (0.40) KMT2ABRD4MGAMGAASI
SCHEMBL368816 0.81 KMT2A (0.46) KMT2APOLBMGAMGAASI

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