SCHEMBL7476563

SCHEMBL7476563

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 1/20 0.34
CMA1 P23946 5/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B13 Q7Z5P4 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PPARD Q03181 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
SCHEMBL7472788 0.92 RORC (0.42) LMNAMEN1KMT2ARORCHTT
SCHEMBL7476618 0.88 ACLY (0.37) LMNAMEN1KMT2ARORCCMA1
SCHEMBL7468861 0.84 PPARG (0.35) LMNAMEN1KMT2ACMA1HPGD
SCHEMBL7473933 0.84 POLB (0.34) LMNAMEN1KMT2ARORCCMA1
SCHEMBL7470706 0.82 P2RX3 (0.39)
SCHEMBL7472616 0.81 P2RX3 (0.34) CMA1SMN1; SMN2HSD17B13ALDH1A1POLB
SCHEMBL7469280 0.80 HPGD (0.36) MEN1KMT2ARORCCMA1HPGD
SCHEMBL7471410 0.78 PPARG (0.33) LMNACMA1SMN1; SMN2THRBHPGD
SCHEMBL7470272 0.75 P2RX3 (0.32)
SCHEMBL7470266 0.75 P2RX3 (0.32)

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