SCHEMBL290350

SCHEMBL290350

COc1cc(C(=C=O)CN(C)C)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41

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
SCHEMBL16964474 0.77 TAS1R3 (0.43) ALDH1A1KMT2AMEN1PDE4APDE4B
SCHEMBL16963959 0.76 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL16964035 0.76 TAS1R3 (0.43) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL16335291 0.71 CYP3A4 (0.54) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL3137049 0.70 THRA (0.56) ALDH1A1SCN1ASCN2ASCN3AKMT2A
SCHEMBL7774569 0.69 PTGS2 (0.47) ALDH1A1KMT2AMEN1KDM4EMAPK1
SCHEMBL7376402 0.68 TUBB4A (0.51) ALDH1A1SCN1ASCN2ASCN3AKMT2A
SCHEMBL1436447 0.67 TUBB4A (0.50) ALDH1A1SCN1ASCN2ASCN3AKMT2A
SCHEMBL6204961 0.67 CES2 (0.42) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL4819729 0.67 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-2427057-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2012-03-14 EP disclosed
WO-2010129049-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-11 WO disclosed