SCHEMBL6174451

SCHEMBL6174451

CC(c1ccncc1NNC(=O)c1ccccc1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
GAA P10253 5/20 0.38
TLR7 Q9NYK1 2/20 0.37
F2R P25116 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LIPE Q05469 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MAPK1 P28482 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
ABL1 P00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE2A O00408 2/20 0.33
CXCR3 P49682 1/20 0.33
GPR132 Q9UNW8 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
SCHEMBL6174089 0.87 GAA (0.36) LMNAGAAALDH1A1MAPK1CYP3A4
SCHEMBL6176663 0.85 LMNA (0.39) LMNAGSK3AGSK3BABL1TRPV1
SCHEMBL6175831 0.85 NPC1 (0.46) LMNA
SCHEMBL6174987 0.85 GAA (0.41) LMNAGAAALDH1A1GSK3AGSK3B
SCHEMBL6277100 0.85 GSK3A (0.38) LIPEGSK3AGSK3BABL1TRPV1
SCHEMBL6171763 0.84 LMNA (0.38) LMNALIPEGSK3AGSK3BABL1
SCHEMBL6173186 0.84 LMNA (0.40) LMNALIPECXCR3
SCHEMBL6175948 0.84 LMNA (0.42) LMNAGAAF2RALDH1A1LIPE
SCHEMBL6175153 0.83 LIPE (0.43) LIPEGSK3AGSK3BABL1
SCHEMBL6172197 0.83 LMNA (0.40) LMNALIPECXCR3

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