SCHEMBL6175577

SCHEMBL6175577

CC(c1ccncc1C(=O)N1CCN(C)CC1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
HRH4 Q9H3N8 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK7 Q13164 3/20 0.36
KCNA5 P22460 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
SLC2A1 P11166 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
LIPE Q05469 3/20 0.35
LMNA P02545 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL6173052 0.93 EPHX2 (0.36) EPHX2KCNA5LIPELMNAHRH3
SCHEMBL6251397 0.91 EPHX2 (0.39) EPHX2ALDH1A1MAPK7KCNA5LIPE
SCHEMBL6175321 0.91 KCNA5 (0.41) ALDH1A1KCNA5TP53MDM2LIPE
SCHEMBL6170501 0.86 LMNA (0.42) EPHX2LIPELMNA
SCHEMBL6176359 0.85 LMNA (0.39) LIPELMNA
SCHEMBL6177656 0.85 LMNA (0.37) ALDH1A1MAPK7LMNAABL1
SCHEMBL6174458 0.83 SLC5A1 (0.40) ALDH1A1LIPELMNA
SCHEMBL6173353 0.82 LMNA (0.45) ALDH1A1TP53LIPELMNA
SCHEMBL6173172 0.80 LMNA (0.41) TP53LMNAABL1
SCHEMBL6173346 0.80 EPHX2 (0.40) EPHX2MAPK7KCNA5LIPELMNA

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