SCHEMBL6173810

SCHEMBL6173810

O=C1CN(C(N=S(=O)=O)c2ccnc(-c3ccc(Cl)cc3)c2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
MAPK1 P28482 2/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
MARS1 P56192 1/20 0.33
DHODH Q02127 1/20 0.33
FNTA P49354 1/20 0.32
PGGT1B P53609 1/20 0.32
MAT2A P31153 1/20 0.32
LIPE Q05469 3/20 0.32
GCGR P47871 2/20 0.32
PTGS2 P35354 1/20 0.32
ALOX5 P09917 1/20 0.32
SLC5A1 P13866 1/20 0.31

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
SCHEMBL6207381 0.80 MARS1 (0.33) MAPTALDH1A1MARS1FNTAPGGT1B
SCHEMBL2940927 0.76 ENPP2 (0.43) MAPTMAPK1RECQLL3MBTL1SCN10A
SCHEMBL6175039 0.71 MAT2A (0.37) MAPTMAPK1RECQLL3MBTL1SCN10A
SCHEMBL6172653 0.68 IGF1R (0.38)
SCHEMBL2938753 0.67 TRPA1 (0.46) MAPTSCN10AALDH1A1LIPE
SCHEMBL6173288 0.67 MAPT (0.32) MAPTMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL6203217 0.67 CACNA1B (0.33) PTGS2
SCHEMBL2938658 0.67 SMN1; SMN2 (0.45) SCN10AALDH1A1MAT2A
SCHEMBL2940065 0.67 GCGR (0.45) GCGR
SCHEMBL2938381 0.67 ENPP2 (0.43) FNTAPGGT1BLIPEMEN1KMT2A

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