Fluoride

Fluoride

SCHEMBL7489306

COC(C)N(C(C)OC)n1cnc2ccccc21.F.F.O=[SH2]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
APAF1 O14727 1/20 0.39
HTT P42858 3/20 0.38
FGFR1 P11362 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
IDO1 P14902 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ALDH3A1 P30838 1/20 0.34
NOD1 Q9Y239 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34

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
Fluoride SCHEMBL7485384 0.77 SMN1; SMN2 (0.45) KMT2AMEN1HPGDHSD17B10SMN1; SMN2
SCHEMBL6957351 0.75 HSD17B10 (0.46) KMT2AMEN1HPGDHSD17B10SMN1; SMN2
Fluoride SCHEMBL7484762 0.74 TDP1 (0.44) KMT2AMEN1HPGDHSD17B10SMN1; SMN2
Fluoride SCHEMBL7478380 0.71 SMN1; SMN2 (0.47) KMT2AMEN1HPGDHSD17B10SMN1; SMN2
SCHEMBL1663230 0.69 TDP1 (0.48) KMT2AMEN1HPGDHSD17B10SMN1; SMN2
SCHEMBL9159925 0.68 APAF1 (0.50) KMT2AMEN1HPGDHSD17B10SMN1; SMN2
SCHEMBL9674221 0.67 KMT2A (0.60) KMT2AMEN1HPGDHSD17B10SMN1; SMN2
SCHEMBL6955711 0.66 TDP1 (0.50) KMT2AMEN1HPGDHSD17B10SMN1; SMN2
SCHEMBL6596781 0.66 SMN1; SMN2 (0.44) KMT2AMEN1HPGDHSD17B10SMN1; SMN2
SCHEMBL6006476 0.66 SMN1; SMN2 (0.44) KMT2AMEN1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933364-B1 Imidazolate sulfur difluorides AIR PROD & CHEM (US) 2002-05-02 EP disclosed
US-5939546-A USEFUL DEOXOFLUORINATION REAGENTS AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-08-17 US disclosed
EP-0933364-A1 Imidazolate sulfur difluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-08-04 EP disclosed