Fluoride

Fluoride

SCHEMBL9841305

CCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.CCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.CCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.CCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.CCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.F.F.F.F.F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 1/20 0.39
ATM Q13315 1/20 0.39
ELANE P08246 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAP2K1 Q02750 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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 SCHEMBL9841286 0.90 ATM (0.40) KMT2AHTTSMN1; SMN2TDP1CA2
Fluoride SCHEMBL9841445 0.88 MAPT (0.40) KMT2AHTTSMN1; SMN2TDP1CA2
SCHEMBL12154150 0.87 KMT2A (0.45) KMT2AHTTSMN1; SMN2TDP1CA2
Fluoride SCHEMBL9841547 0.86 HTT (0.40) KMT2AHTTSMN1; SMN2TDP1CA2
Fluoride SCHEMBL9841381 0.86 HTT (0.40) KMT2AHTTSMN1; SMN2TDP1CA2
Fluoride SCHEMBL9841283 0.86 HPGD (0.43) KMT2AHTTSMN1; SMN2TDP1CA2
Fluoride SCHEMBL9841337 0.84 KMT2A (0.51) KMT2AHTTSMN1; SMN2TDP1CA2
SCHEMBL9841306 0.81 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1CA2
SCHEMBL8025327 0.81 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1CA2
SCHEMBL12154243 0.81 L3MBTL1 (0.59) KMT2AHTTSMN1; SMN2TDP1CA2

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
US-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed