Fluoride

Fluoride

SCHEMBL27847491

F.O=C1NC(=O)c2c1ccc(C(Cl)Cl)c2S(=O)(=O)O

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPOX P50336 1/20 0.35
▸ PARP1 P09874 3/20 0.34
▸ CASP3 P42574 2/20 0.33
▸ CASP2 P42575 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ CASP8 Q14790 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ WEE1 P30291 2/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ ATIC P31939 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ DAPK1 P53355 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL27430105 0.98 PPOX (0.36) PPOXPARP1CASP3CASP2CASP7
SCHEMBL11427967 0.71 PARP1 (0.35) PPOXPARP1CASP3CASP2CASP7
SCHEMBL27492140 0.71 PPOX (0.33) PPOXMAOAMAOBATIC
SCHEMBL3908443 0.70 GSK3B (0.48) PPOXPARP1CASP3CASP2CASP7
SCHEMBL27417533 0.68 ELANE (0.36) PPOXPARP1CASP3WEE1CHEK1
SCHEMBL27841104 0.67 MAOA (0.40) PARP1CASP3CASP7MAOAMAOB
SCHEMBL27488982 0.65 CES1 (0.38) PPOXPARP1MAOAMAOBATIC
SCHEMBL30589371 0.64 KDM4E (0.46) PARP1CASP3CASP2CASP7CASP6
SCHEMBL2524205 0.64 KDM4E (0.46) PARP1CASP3CASP2CASP7CASP6
Benzene SCHEMBL28757324 0.62 KDM4E (0.45) PARP1CASP3CASP2CASP7CASP6

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-102272376-A Treated textile material for aquatic environments — 2011-12-07 — — CN claimed
CN-102272376-A Treated textile material for aquatic environments — 2011-12-07 — — CN disclosed
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