SCHEMBL8773829

SCHEMBL8773829

COC(=O)c1cc(F)cc(Cl)c1NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NQO2 P16083 1/20 0.40
CDK1 P06493 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ABL1 P00519 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8773869 0.83 POLB (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8125541 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2933042 0.81 KDM4E (0.42) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL6036163 0.78 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL28023225 0.78 GAA (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7365868 0.78 HPGD (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL17030851 0.77 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21000818 0.77 GAA (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8773808 0.77 GAA (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2928075 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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