Fluoride

Fluoride

SCHEMBL10977461

F.F.F.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1Cl

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.67
▸ TSHR P16473 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ VCAM1 P19320 6/20 0.43
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39

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 SCHEMBL10977459 1.00 TDP1 (0.67) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL29918148 0.98 TDP1 (0.69) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL2145586 0.98 TDP1 (0.69) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL28256134 0.85 TDP1 (0.61) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL672105 0.83 TDP1 (0.59) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL30946523 0.83 TDP1 (0.59) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL10980919 0.82 TSHR (0.62) TDP1TSHRMAPK1ALDH1A1VCAM1
Benzene SCHEMBL9443154 0.81 TDP1 (0.57) TDP1TSHRMAPK1ALDH1A1HTR2A
SCHEMBL2160036 0.81 TDP1 (0.69) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL278488 0.80 TDP1 (1.00) TDP1TSHRMAPK1ALDH1A1VCAM1

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
EP-0137424-A2 Process for producing 2,4-dichlorobenzotrifluoride ISHIHARA SANGYO KAISHA, LTD. (JP) 1985-04-17 — — EP disclosed
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