SCHEMBL5496448

SCHEMBL5496448

COc1ccc(CC(=O)OC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL5496450 0.88 GAA (0.54) ALDH1A1MAPTSMN1; SMN2GAANPC1
SCHEMBL5496444 0.88 GAA (0.54) ALDH1A1MAPTSMN1; SMN2GAANPC1
SCHEMBL5256345 0.86 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2GAANPC1
SCHEMBL6986744 0.85 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2GAANPC1
SCHEMBL5091684 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL19926028 0.81 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29875283 0.81 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2976618 0.81 GAA (0.60) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL6293793 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL2976612 0.81 GAA (0.60) ALDH1A1SMN1; SMN2GAANPC1RAB9A

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-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed