Fluoride

Fluoride

SCHEMBL27638422

COc1cccc(C)c1C.F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA4 P22748 1/20 0.50
HTR1B P28222 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 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
SCHEMBL29352478 0.97 CA1 (0.52) MAPTCA1CA2CA7CA9
SCHEMBL28575044 0.97 CA1 (0.52) MAPTCA1CA2CA7CA9
SCHEMBL78554 0.97 CA1 (0.52) MAPTCA1CA2CA7CA9
SCHEMBL146841 0.84 CA1 (0.61) MAPTCA1CA2CA7CA9
SCHEMBL29225650 0.82 ACHE (0.50) MAPTLMNAALDH1A1CYP3A4KDM4E
SCHEMBL29377898 0.79 MAPT (0.54) MAPTHTR1BMEN1KMT2ANPSR1
Fluoride SCHEMBL27964337 0.79 CA1 (0.63) MAPTCA1CA2CA7CA9
SCHEMBL1538371 0.79 MAPT (0.54) MAPTHTR1BMEN1KMT2ANPSR1
SCHEMBL6035270 0.79 MAPT (0.54) MAPTCA1CA2CA7CA9
SCHEMBL29225651 0.78 CA1 (0.48) MAPTCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100363320-C Method for producing aromatic aldehyde IHARA CHEMICAL IND CO (JP) 2008-01-23 CN disclosed
CN-1819984-A Method for producing aromatic aldehyde IHARA CHEMICAL IND CO (JP) 2006-08-16 CN disclosed