SCHEMBL7248155

SCHEMBL7248155

CC(=O)Nc1c(F)cc(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 2/20 0.40
ABL1 P00519 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PTK2 Q05397 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL8773828 0.90 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1634754 0.87 MEN1 (0.38) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3576620 0.86 KDM4E (0.53) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL2566903 0.83 FUCA1 (0.43) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3726925 0.79 HDAC1 (0.42) KMT2AMEN1ALDH1A1MAPTIDO1
SCHEMBL22367067 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1HDAC1HDAC6
SCHEMBL14271012 0.79 HDAC1 (0.39) KMT2AMEN1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6036163 0.79 SMN1; SMN2 (0.41) KMT2AMEN1ALDH1A1MAPTIDO1
SCHEMBL9031190 0.78 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL13483414 0.77 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTKDM4E

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
US-6602825-B1 Cyclization of an isocyanate with a thiourea and carbonic acid BASF AKTIENGESELLSCHAFT (DE) 2003-08-05 US disclosed
CN-1341105-A 1-aryl-1,3,5-triazine-4-thione-2,6-diones, production thereof and use thereof as herbicides BASF AG (DE) 2002-03-20 CN disclosed