SCHEMBL7469280

SCHEMBL7469280

Cn1c(C(F)(F)F)cc(=O)n(Cc2ccc(O)c(Cl)c2Cl)c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
CMA1 P23946 3/20 0.35
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RORC P51449 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
DPP4 P27487 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
CYP3A4 P08684 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
SCHEMBL7470706 0.81 P2RX3 (0.39)
SCHEMBL7472788 0.80 RORC (0.42) ALDH1A1MEN1KMT2ARORCNPSR1
SCHEMBL7476563 0.80 LMNA (0.36) HPGDCMA1ALDH1A1MEN1KMT2A
SCHEMBL7468861 0.79 PPARG (0.35) HPGDCMA1MEN1KMT2A
SCHEMBL8820570 0.78 MEN1 (0.35) HPGDCMA1ALDH1A1MEN1KMT2A
SCHEMBL7472616 0.77 P2RX3 (0.34) CMA1ALDH1A1KDM4E
SCHEMBL7476618 0.77 ACLY (0.37) HPGDCMA1ALDH1A1MEN1KMT2A
SCHEMBL8819833 0.76 KMT2A (0.36) HPGDALDH1A1MEN1KMT2AMAPK1
SCHEMBL8818687 0.76 HPGD (0.39) HPGDALDH1A1MEN1KMT2AMAPK1
SCHEMBL7471410 0.75 PPARG (0.33) HPGDCMA1ALDH1A1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891336-B1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AG (DE) 2002-06-05 EP disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed