SCHEMBL6175091

SCHEMBL6175091

CC(c1ccncc1C(=O)N1CCOCC1)C1(C(C)c2ccncc2C(=O)N2CCOCC2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.34
NR1H2 P55055 1/20 0.34
GAA P10253 2/20 0.33
PTGS2 P35354 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
HASPIN Q8TF76 1/20 0.33
TACR1 P25103 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 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
SCHEMBL6173489 0.92 DPP4 (0.36) SLC6A9GAATACR1LMNAMAPK1
SCHEMBL6176027 0.91 HRH4 (0.33) SLC6A9GAATACR1HTTALDH1A1
SCHEMBL6172665 0.90 SLC6A9 (0.38) SLC6A9LMNAMAPK1HTTSMN1; SMN2
SCHEMBL6175279 0.86 FKBP1A (0.37) NR1H2GAACCNCCDK8HASPIN
SCHEMBL6172452 0.85 HTT (0.36) SLC6A9LMNAMAPK1HTTSMN1; SMN2
SCHEMBL6177902 0.85 CYP2C9 (0.35) GAALMNAHTTALDH1A1DPP4
SCHEMBL6171082 0.82 ALDH1A1 (0.35) GAALMNAALDH1A1CYP2C9CYP2C19
SCHEMBL6175941 0.82 PTGS2 (0.39) SLC6A9PTGS2TACR1LMNAMAPK1
SCHEMBL6172647 0.81 CYP3A4 (0.35) NR1H2GAALMNASMN1; SMN2ALDH1A1
SCHEMBL6173750 0.80 KMT2A (0.39) GAAPTGS2LMNAMAPK1HTT

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