SCHEMBL7090624

SCHEMBL7090624

COc1cc(N(CC(C)C)C(N)=O)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
AOC3 Q16853 1/20 0.40
TSHR P16473 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39

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
SCHEMBL8803946 0.79 AOC3 (0.43) KMT2AMAPK1HTTKDM4EAOC3
Hydrochloric Acid SCHEMBL8805153 0.78 AOC3 (0.42) KMT2AMAPK1HTTKDM4EAOC3
SCHEMBL7480109 0.74 MAPT (0.45) MAPK1HTTKDM4EAOC3TSHR
SCHEMBL8807244 0.72 SMN1; SMN2 (0.51) KMT2AMAPK1KDM4ETSHRMEN1
SCHEMBL10744946 0.72 HTT (0.45) MAPK1HTTKDM4ETSHRAPOBEC3A
SCHEMBL8806370 0.72 POLB (0.51) KMT2AMAPK1KDM4ETSHRMEN1
Hydrochloric Acid SCHEMBL8904240 0.72 SMN1; SMN2 (0.53) KMT2AMAPK1KDM4ETSHRMEN1
SCHEMBL6692844 0.71 HTT (0.42) MAPK1HTTKDM4ETSHRAPOBEC3A
SCHEMBL19423042 0.71 ALDH1A1 (0.46) KMT2AMAPK1KDM4EAOC3TSHR
SCHEMBL19423136 0.71 GAA (0.44) KMT2AMAPK1HTTKDM4ETUBB4A

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-1358171-A2 NOVEL UREA DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2003-11-05 EP disclosed
WO-2002059102-A2 UREA DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE AVENTIS PHARMA S.A. (FR) 2002-08-01 WO disclosed