SCHEMBL6252018

SCHEMBL6252018

CC(OCCN1CCCC1)(c1ccncc1)C1(C(C)(OCCN2CCCC2)c2ccncc2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
IGF1R P08069 2/20 0.34
AR P10275 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP1 P03956 4/20 0.32
MMP9 P14780 4/20 0.32
MMP13 P45452 4/20 0.32
HSD11B1 P28845 4/20 0.32
HRH3 Q9Y5N1 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 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
SCHEMBL2939613 0.71 IGF1R (0.42) SMN1; SMN2LMNAMAPK1HTTIGF1R
SCHEMBL6172121 0.68 AR (0.44) SMN1; SMN2LMNAMAPK1HTTALDH1A1
SCHEMBL6178355 0.68 AR (0.44) SMN1; SMN2LMNAMAPK1HTTALDH1A1
SCHEMBL2932324 0.67 LMNA (0.38) SMN1; SMN2LMNAMAPK1HTTIGF1R
SCHEMBL2933712 0.67 IGF1R (0.57) SMN1; SMN2LMNAMAPK1HTTIGF1R
SCHEMBL2940999 0.67 IGF1R (0.42) SMN1; SMN2LMNAMAPK1HTTIGF1R
SCHEMBL4028165 0.65 AR (0.53) SMN1; SMN2LMNAMAPK1HTTCYP3A4
Trifluoroacetic Acid SCHEMBL17558354 0.64 AR (0.40) MAPK1ALDH1A1CYP3A4GAACYP2C9
SCHEMBL2940648 0.64 IGF1R (0.57) SMN1; SMN2LMNAMAPK1HTTIGF1R
SCHEMBL6175564 0.64 LMNA (0.39) SMN1; SMN2LMNAMAPK1HTTALDH1A1

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