SCHEMBL6174638

SCHEMBL6174638

CCOc1cnccc1CC1(C)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.43
RXFP1 Q9HBX9 2/20 0.37
AR P10275 4/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NAMPT P43490 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6174448 0.89 IGF1R (0.44) IGF1RARALDH1A1NAMPTTP53
SCHEMBL6175255 0.88 IGF1R (0.44) IGF1RARKMT2AALDH1A1CYP3A4
SCHEMBL6175170 0.86 IGF1R (0.44) IGF1RARPTGS2KMT2AALDH1A1
SCHEMBL6171403 0.85 IGF1R (0.43) IGF1RARKMT2AALDH1A1CYP3A4
SCHEMBL6174655 0.84 IGF1R (0.39) IGF1RRXFP1ARKMT2AALDH1A1
SCHEMBL6173328 0.84 IGF1R (0.44) IGF1RARKMT2AALDH1A1CYP3A4
SCHEMBL6175523 0.83 IGF1R (0.41) IGF1RARKMT2AALDH1A1CYP3A4
Trifluoroacetic Acid SCHEMBL17558421 0.82 IGF1R (0.41) IGF1RARKMT2AALDH1A1CYP3A4
SCHEMBL6175293 0.82 IGF1R (0.45) IGF1RARPTGS2KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL17558372 0.82 IGF1R (0.41) IGF1RARKMT2AALDH1A1CYP3A4

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