Fluoride

Fluoride

SCHEMBL28350549

CCOc1cc(F)ccc1Br.F.F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 4/20 0.41
HPGD P15428 2/20 0.41
PKM P14618 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 4/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 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
SCHEMBL1808652 0.98 FFAR1 (0.48) FFAR1FFAR4L3MBTL1TDP1CYP1A2
SCHEMBL30294538 0.98 FFAR1 (0.48) FFAR1FFAR4L3MBTL1TDP1CYP1A2
SCHEMBL31314166 0.84 FFAR1 (0.43) FFAR1FFAR4L3MBTL1TDP1CYP1A2
SCHEMBL2859876 0.83 FFAR1 (0.46) FFAR1FFAR4L3MBTL1TDP1CYP1A2
SCHEMBL4355667 0.82 PKM (0.59) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL12668117 0.82 FFAR1 (0.43) FFAR1FFAR4L3MBTL1TDP1CYP1A2
SCHEMBL8297680 0.81 CYP1A2 (0.44) FFAR1FFAR4L3MBTL1TDP1CYP1A2
SCHEMBL12435311 0.80 FFAR1 (0.41) FFAR1FFAR4L3MBTL1TDP1CYP1A2
SCHEMBL2523519 0.79 L3MBTL1 (0.53) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL394047 0.79 FFAR1 (0.46) FFAR1FFAR4L3MBTL1CYP1A2CYP2C19

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-110612296-A Phenyl derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed