SCHEMBL8574205

SCHEMBL8574205

COc1cc(Cl)cc(Cn2c(=O)cc(C(F)(F)F)n(C)c2=O)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.33
HPGD P15428 2/20 0.32
CMA1 P23946 4/20 0.32
DDR1 Q08345 1/20 0.32
TP53 P04637 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BCAT2 O15382 1/20 0.30
BCAT1 P54687 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
P2RX7 Q99572 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
SCHEMBL8820570 0.85 MEN1 (0.35) HPGDCMA1DDR1TP53ALDH1A1
SCHEMBL8607569 0.81 CMA1 (0.35) HPGDCMA1TP53ALDH1A1MAPT
SCHEMBL8818440 0.78 BCAT1 (0.50) DDR1ALDH1A1MAPTSMN1; SMN2BCAT2
SCHEMBL8818687 0.76 HPGD (0.39) HPGDALDH1A1MEN1KMT2A
SCHEMBL8819833 0.76 KMT2A (0.36) HPGDALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8570267 0.74 ALDH1A1 (0.46) HPGDCMA1ALDH1A1MAPTMEN1
SCHEMBL7470706 0.74 P2RX3 (0.39)
SCHEMBL7469280 0.74 HPGD (0.36) HPGDCMA1ALDH1A1MEN1TSHR
SCHEMBL8819042 0.73 ALDH1A1 (0.39) HPGDALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL7472788 0.72 RORC (0.42) TP53ALDH1A1MAPTMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780630-A 1-METHYL-6-TRIFLUOROMETHYL-2,4(1H,3H)PYRIMIDINEDIONE AS AN INTERMEDIATE FOR HERBICIDES E.G. 1-METHYL-6-TRIFLUOROMETHYL-3-(4-METHOXYPHENYLMETHYL) -2,4(1H,3H)PYRIMIDINEDIONE FMC CORPORATION (US) 1998-07-14 US disclosed
WO-1998008824-A1 AN INTERMEDIATE USEFUL IN THE SYNTHESIS OF PESTICIDAL URACILS FMC CORPORATION (US) 1998-03-05 WO disclosed
WO-1997047607-A1 HERBICIDAL 3-(SUBSTITUTED-BENZYL)-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1997-12-18 WO disclosed
US-5683966-A Herbicidal 3-(substituted-benzyl)-1-methyl-6-trifluoromethyluracils FMC CORPORATION (US) 1997-11-04 US disclosed
US-5391541-A Herbicidal 3-(substituted-benzyl)-1-methyl-6-trifluoromethyluracils FMC CORPORATION (US) 1995-02-21 US disclosed
WO-1995004461-A1 HERBICIDAL 3-(SUBSTITUTED-BENZYL)-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1995-02-16 WO disclosed