SCHEMBL28865604

SCHEMBL28865604

Nc1ccc(F)cc1.Nc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 7/20 0.59
TDP1 Q9NUW8 4/20 0.59
MAPK1 P28482 3/20 0.59
GFER P55789 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
MAOB P27338 2/20 0.52
CYP3A4 P08684 5/20 0.50
TP53 P04637 1/20 0.50
TAAR1 Q96RJ0 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.45
ALOX15 P16050 2/20 0.44
ACHE P22303 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL8466839 1.00 MAPT (0.61) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL3199 1.00
SCHEMBL18867937 1.00
Hydrochloric Acid SCHEMBL4375914 0.96 MAPT (0.57) MAPTMEN1KMT2AALDH1A1TDP1
Hydrochloric Acid SCHEMBL2761740 0.96
Methane SCHEMBL22289599 0.96
Bromide SCHEMBL25172333 0.96
SCHEMBL357942 0.96
Hydrochloric Acid SCHEMBL3845511 0.96 MAPT (0.57) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL8782183 0.96

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
CN-108658730-A A kind of preparation method of p-fluorophenol 常州大学 2018-10-16 CN disclosed