Fluorobenzene

Fluorobenzene

SCHEMBL7953534

CC(=O)OCC1(c2ccc(C)cc2O)CO1.CC(C)C(=O)O.Fc1ccccc1

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
KMT2A Q03164 5/20 0.48
POLB P06746 2/20 0.48
APEX1 P27695 1/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
KCNH2 Q12809 1/20 0.35
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Fluorobenzene SCHEMBL7949846 0.94 NPSR1 (0.47) NPSR1KMT2APOLBAPEX1ATM
Nitrobenzene SCHEMBL7953615 0.86 NPSR1 (0.48) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7949807 0.86 NPSR1 (0.69) NPSR1KMT2APOLBAPEX1ATM
Acetic Acid SCHEMBL7948951 0.85 NPSR1 (0.54) NPSR1KMT2APOLBAPEX1ATM
Acetic Acid SCHEMBL7949884 0.82 NPSR1 (0.70) NPSR1KMT2APOLBAPEX1ATM
Anisole SCHEMBL7949064 0.82 NPSR1 (0.47) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7948949 0.71 NPSR1 (0.71) NPSR1KMT2APOLBAPEX1ATM
Fluorobenzene SCHEMBL7941812 0.71 MAPT (0.58) NPSR1KMT2APOLBMAPTSMN1; SMN2
Fluorobenzene SCHEMBL7948168 0.71 SRC (0.36) NPSR1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL8446160 0.71 NPSR1 (0.44) NPSR1KMT2APOLBAPEX1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255517-B1 6-SULFONYLOXYISOPROPENYL-M-CRESOL AND ESTERS Zee, Ok Pyo (KR) 2001-07-03 US disclosed