SCHEMBL6172336

SCHEMBL6172336

CC(c1ccncc1-c1ccc(F)cc1)C1NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.34
PTGS2 P35354 6/20 0.34
PTGS1 P23219 2/20 0.34
IGF1R P08069 1/20 0.33
SLC22A12 Q96S37 2/20 0.32
NR3C1 P04150 3/20 0.32
PGR P06401 2/20 0.32
LMNA P02545 1/20 0.32
RORC P51449 1/20 0.32
MAPK13 O15264 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
AR P10275 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL6171783 0.92 CACNA1B (0.35) CACNA1BPTGS2PTGS1IGF1RSLC22A12
SCHEMBL6175297 0.92 LMNA (0.39) CACNA1BPTGS2IGF1RLMNATRPV3
SCHEMBL6175007 0.91 SLC22A12 (0.42) CACNA1BPTGS2PTGS1IGF1RSLC22A12
SCHEMBL6175175 0.86 IGF1R (0.36) PTGS2IGF1RLMNACTSS
SCHEMBL6172120 0.85 KDM4E (0.35) PTGS2PTGS1IGF1RLMNA
SCHEMBL6174750 0.85 LMNA (0.39) CACNA1BSLC22A12LMNA
SCHEMBL6169741 0.84 IGF1R (0.36) PTGS2PTGS1IGF1RLMNA
SCHEMBL6171408 0.84 IGF1R (0.35) PTGS2IGF1RLMNA
SCHEMBL6173330 0.84 IGF1R (0.40) IGF1RLMNATRPV3CTSS
SCHEMBL6175260 0.83 IGF1R (0.39) PTGS2IGF1RLMNACTSS

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