SCHEMBL371358

SCHEMBL371358

Cc1ccc(C(CC(=O)c2ccc(=O)[nH]c2)c2ccc(Br)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
MGAM O43451 3/20 0.46
SI P14410 3/20 0.46
MGAM2 Q2M2H8 3/20 0.46
EPHX2 P34913 3/20 0.42
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RORC P51449 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL369159 0.85 GAA (0.44) GAAMGAMSIMGAM2EPHX2
SCHEMBL1390521 0.84 MGAM (0.53) GAAMGAMSIMGAM2EPHX2
SCHEMBL1390916 0.84 MGAM (0.53) GAAMGAMSIMGAM2EPHX2
SCHEMBL370252 0.84 MGAM (0.53) GAAMGAMSIMGAM2EPHX2
SCHEMBL370930 0.81 EPHX2 (0.45) GAAMGAMSIMGAM2EPHX2
SCHEMBL369868 0.81 KMT2A (0.47) GAAMGAMSIMGAM2EPHX2
SCHEMBL369294 0.81 GAA (0.40) GAAMGAMSIMGAM2EPHX2
SCHEMBL369498 0.81 EPHX2 (0.59) GAAMGAMSIMGAM2EPHX2
SCHEMBL370215 0.80 MGAM (0.53) GAAMGAMSIMGAM2EPHX2
SCHEMBL371201 0.80 MGAM (0.53) GAAMGAMSIMGAM2EPHX2

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