SCHEMBL6175948

SCHEMBL6175948

CC(c1ccncc1OC(=O)c1ccccc1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
CXCR3 P49682 6/20 0.36
KMT2A Q03164 1/20 0.36
LIPE Q05469 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2R P25116 1/20 0.33
CYP3A4 P08684 1/20 0.33
MC4R P32245 1/20 0.33
MC1R Q01726 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6173353 0.85 LMNA (0.45) LMNACXCR3KMT2ALIPEALDH1A1
SCHEMBL6170501 0.84 LMNA (0.42) LMNACXCR3LIPEMAPTPOLB
SCHEMBL6174451 0.84 LMNA (0.40) LMNACXCR3LIPEALDH1A1F2R
SCHEMBL6173172 0.82 LMNA (0.41) LMNAMAPTL3MBTL1
SCHEMBL6176359 0.81 LMNA (0.39) LMNACXCR3LIPEMAPTPOLB
SCHEMBL6176663 0.81 LMNA (0.39) LMNACXCR3MAPTPOLBL3MBTL1
SCHEMBL6175831 0.81 NPC1 (0.46) LMNACCNCCDK8
SCHEMBL6173698 0.81 LMNA (0.42) LMNACXCR3LIPEPOLBL3MBTL1
SCHEMBL6171763 0.80 LMNA (0.38) LMNACXCR3LIPEMAPTPOLB
SCHEMBL6173186 0.79 LMNA (0.40) LMNACXCR3LIPEMAPTPOLB

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed