SCHEMBL6173336

SCHEMBL6173336

CN(C(=O)c1cnccc1CC1(C)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.40
NAMPT P43490 2/20 0.34
AR P10275 4/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL6171133 0.90 IGF1R (0.40) IGF1RNAMPTARALDH1A1LMNA
SCHEMBL6175742 0.86 ALDH1A1 (0.37) ARALDH1A1LMNAKDM4EKMT2A
SCHEMBL6171997 0.85 IGF1R (0.41) IGF1RNAMPTARALDH1A1LMNA
SCHEMBL2938662 0.82 IGF1R (0.60) IGF1RNAMPTAR
SCHEMBL6170249 0.82 IGF1R (0.40) IGF1RNAMPTARALDH1A1KMT2A
SCHEMBL6172896 0.82 IGF1R (0.39) IGF1RALDH1A1LMNAKMT2A
SCHEMBL6174655 0.82 IGF1R (0.39) IGF1RNAMPTARALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL17558372 0.81 IGF1R (0.41) IGF1RNAMPTARALDH1A1KMT2A
SCHEMBL6175293 0.81 IGF1R (0.45) IGF1RNAMPTARALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL17558421 0.81 IGF1R (0.41) IGF1RNAMPTARALDH1A1KMT2A

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