SCHEMBL6986096

SCHEMBL6986096

C=C(CN1CCN(C(=O)O)CC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4399325 0.90 CASR (0.55) CASRMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4397215 0.89 CASR (0.55) CASRMEN1KMT2AALDH1A1KDM4E
SCHEMBL6989540 0.89 CASR (0.49) CASRMEN1KMT2AALDH1A1GAA
SCHEMBL6988739 0.88 CASR (0.62) CASR
SCHEMBL4391833 0.88 CASR (0.43) CASRMEN1KMT2AALDH1A1
SCHEMBL6985526 0.85 ALDH1A1 (0.46) CASRMEN1KMT2AALDH1A1GAA
SCHEMBL4562924 0.83 CASR (0.47) CASRMEN1KMT2A
SCHEMBL4543747 0.82 CASR (0.53) CASRMEN1KMT2A
Hydrochloric Acid SCHEMBL4551042 0.81 CASR (0.53) CASRMEN1KMT2A
SCHEMBL4401060 0.80 CASR (0.47) CASRALDH1A1GAA

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