SCHEMBL8773844

SCHEMBL8773844

CC(=O)Nc1c(F)cc(Br)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
LMNA P02545 6/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
KCNJ11 Q14654 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
IDO1 P14902 2/20 0.36
ABL1 P00519 2/20 0.36
ACLY P53396 1/20 0.36
SLC2A1 P11166 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL30124621 1.00 KMT2A (0.41) KMT2ALMNAMEN1MAPTHTT
SCHEMBL3726925 0.87 HDAC1 (0.42) KMT2ALMNAMEN1MAPTHTT
SCHEMBL13483414 0.84 KMT2A (0.47) KMT2ALMNAMEN1MAPTHTT
SCHEMBL11423895 0.83 KMT2A (0.43) KMT2ALMNAMEN1MAPTHTT
SCHEMBL25096707 0.82 ALDH1A1 (0.42) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL8773828 0.82 MEN1 (0.43) KMT2ALMNAMEN1MAPTHTT
SCHEMBL6036163 0.82 SMN1; SMN2 (0.41) KMT2ALMNAMEN1MAPTHTT
SCHEMBL14003578 0.79 CA1 (0.40) KMT2ALMNAMEN1MAPTHTT
SCHEMBL8773870 0.78 ALDH1A1 (0.43) KMT2ALMNAMEN1ALDH1A1NPC1
SCHEMBL18398288 0.78 KCNJ11 (0.37) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794525-A Anticancer compounds 加利福尼亚大学董事会 2024-03-29 CN disclosed
EP-0470669-B1 Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines DOWELANCO (US) 1997-11-12 EP disclosed
US-5164502-A Fluorinating agents DOWELANCO (US) 1992-11-17 US disclosed
US-5116982-A Fluorination DOWELANCO (US) 1992-05-26 US disclosed
EP-0470669-A2 Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines DOWELANCO (US) 1992-02-12 EP disclosed