SCHEMBL6173841

SCHEMBL6173841

CC(c1ccncc1NS(=O)(=O)Cc1ccccc1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 6/20 0.41
LMNA P02545 1/20 0.40
METAP2 P50579 1/20 0.37
CXCR3 P49682 6/20 0.36
CCR9 P51686 2/20 0.35
ELANE P08246 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
PTK2B Q14289 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
CYP3A4 P08684 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
SCHEMBL6173101 0.90 LMNA (0.38) LIPELMNACXCR3CCR9ELANE
SCHEMBL6207151 0.89 CCR9 (0.44) LIPELMNACCR9
SCHEMBL6177185 0.88 LMNA (0.41) LIPELMNACCR9
SCHEMBL6173243 0.88 METAP2 (0.37) LMNAMETAP2ELANE
SCHEMBL6175499 0.86 LMNA (0.37) LIPELMNACXCR3CCR9
SCHEMBL6173186 0.84 LMNA (0.40) LIPELMNACXCR3CCR9KDM4C
SCHEMBL6173298 0.83 LMNA (0.39) LIPELMNACXCR3CCR9ALDH1A1
SCHEMBL6172197 0.83 LMNA (0.40) LIPELMNACXCR3CCR9KDM4C
SCHEMBL6178460 0.82 LIPE (0.38) LIPEMETAP2CXCR3CCR9ELANE
SCHEMBL6176663 0.82 LMNA (0.39) LMNACXCR3

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