SCHEMBL6207381

SCHEMBL6207381

O=C1CN(C(N=S(=O)=O)c2ccncc2-c2ccc(Cl)cc2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.33
CACNA1B Q00975 2/20 0.32
LIPE Q05469 3/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
FNTA P49354 2/20 0.31
PGGT1B P53609 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
FNTB P49356 1/20 0.30
CHRNA7 P36544 1/20 0.30
PTGS2 P35354 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
SCHEMBL6203217 0.87 CACNA1B (0.33) CACNA1BPTGS2
SCHEMBL6173288 0.84 MAPT (0.32) MEN1CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL6173810 0.80 MAPT (0.35) MARS1LIPEMEN1CYP1A2CYP2D6
SCHEMBL2938577 0.76 ENPP2 (0.38) MARS1CACNA1BFNTAPGGT1BPTGS2
SCHEMBL6173204 0.74 CACNA1B (0.37) CACNA1BMAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL6175775 0.71 PTGS2 (0.33) PTGS2
SCHEMBL6174587 0.71 MAPT (0.37) MARS1CACNA1BMAPTCYP2C9CYP2C19
SCHEMBL6172100 0.71 LMNA (0.38) MARS1CACNA1BFNTAPGGT1BLMNA
SCHEMBL2937776 0.67 ENPP2 (0.36) CACNA1BLIPEMAPT
SCHEMBL2934288 0.67 CACNA1B (0.39) CACNA1BALDH1A1

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