SCHEMBL6170776

SCHEMBL6170776

CC1(Cc2ccncc2-c2cccc(Cl)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 5/20 0.38
FNTA P49354 2/20 0.37
PGGT1B P53609 2/20 0.37
FNTB P49356 1/20 0.37
ITGAL P20701 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CHRM5 P08912 1/20 0.34
NTRK1 P04629 1/20 0.34
CTSD P07339 2/20 0.33
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
CCR6 P51684 2/20 0.33
KCNH2 Q12809 1/20 0.33
ABL1 P00519 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
SCHEMBL6172098 0.90 AR (0.37) FNTAPGGT1BFNTBITGALALDH1A1
SCHEMBL6173726 0.87 IGF1R (0.42) ITGALALDH1A1KDM4ESMN1; SMN2AR
SCHEMBL6172113 0.86 IGF1R (0.40) ITGALALDH1A1KDM4ESMN1; SMN2AR
SCHEMBL6174749 0.85 AR (0.38) ALDH1A1ARCTSDBACE1BACE2
SCHEMBL6173695 0.84 ITGAL (0.40) ITGALALDH1A1AR
SCHEMBL6175571 0.82 ALDH1A1 (0.38) ALDH1A1ARCYP11B1CYP11B2KCNH2
SCHEMBL6175149 0.82 ALDH1A1 (0.42) ALDH1A1ABL1
SCHEMBL2941478 0.82 IGF1R (0.44) DGAT2NTRK1
SCHEMBL6174785 0.81 ITGAL (0.41) FNTAPGGT1BITGALKDM4EAR
SCHEMBL6172435 0.80 POLB (0.38) ITGALALDH1A1ARCTSDBACE1

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