SCHEMBL28115709

SCHEMBL28115709

Cc1ccc(Oc2ccccn2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
KDM4E B2RXH2 1/20 0.44
P2RX3 P56373 4/20 0.43
CD274 Q9NZQ7 1/20 0.42
GRM5 P41594 1/20 0.42
TRPA1 O75762 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RAF1 P04049 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
FFAR1 O14842 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
SCHEMBL28115268 0.87 KDM4E (0.44) HTR1ASLC6A2SLC6A4KDM4EP2RX3
SCHEMBL5764883 0.83 TRPA1 (0.54) HTR1ASLC6A2SLC6A4KDM4ETRPA1
SCHEMBL28115716 0.81 TRPA1 (0.48) KDM4ECD274TRPA1L3MBTL1RAF1
SCHEMBL24741603 0.81 MEN1 (0.54) KDM4ECD274TRPA1PDE4APDE4B
SCHEMBL30108336 0.81 MEN1 (0.54) KDM4ECD274TRPA1PDE4APDE4B
SCHEMBL2427966 0.81 POLB (0.46) SLC6A4KDM4ECD274TRPA1PDE4A
SCHEMBL2031647 0.81 ALDH1A1 (0.49) SLC6A2SLC6A4KDM4ECD274PDE4A
SCHEMBL28115267 0.79 KDM4E (0.43) KDM4EP2RX3CD274TRPA1PDE4A
SCHEMBL18984674 0.79 MEN1 (0.59) HTR1ASLC6A2SLC6A4KDM4ECD274
SCHEMBL28440365 0.77 NPC1 (0.45) KDM4EP2RX3L3MBTL1MEN1KMT2A

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-104844399-B A kind of method synthesizing 2-fluorophenol compound 浙江工业大学 2016-12-07 CN disclosed