SCHEMBL22190283

SCHEMBL22190283

CCOc1ccc2sc(SC(F)(F)F)[n+](C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ TDP1 Q9NUW8 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ PSMB8 P28062 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HPGD P15428 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NQO1 P15559 1/20 0.33

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
SCHEMBL22190285 0.86 MAPT (0.40) MAPTALDH1A1TDP1KDM4EPSMB8
SCHEMBL22202983 0.74 ADRB2 (0.36) MAPTALDH1A1KDM4EL3MBTL1HTT
Iodide SCHEMBL6660089 0.71 MAPT (0.43) MAPTALDH1A1TDP1KDM4EPSMB8
SCHEMBL22190292 0.70 ACHE (0.38) MAPTALDH1A1HTTHPGDNPC1
SCHEMBL22190296 0.69 PPARA (0.55) MAPTALDH1A1TDP1L3MBTL1PPARA
SCHEMBL13652085 0.67 MAPT (0.67) MAPTALDH1A1TDP1KDM4EPSMB8
SCHEMBL19305183 0.67 APP (0.54) MAPTALDH1A1TDP1KDM4EPSMB8
SCHEMBL19305187 0.66 SNCA (0.41) MAPTALDH1A1TDP1KDM4EPSMB8
Hydrochloric Acid SCHEMBL39299 0.66 APP (0.55) MAPTALDH1A1TDP1KDM4EPSMB8
Hydrochloric Acid SCHEMBL3410018 0.65 SNCA (0.43) MAPTALDH1A1TDP1KDM4EPSMB8

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
EP-3906230-A1 FLUORINE-CONTAINING COMPOUNDS FOR USE AS NUCLEOPHILIC REAGENTS FOR TRANSFERRING FUNCTIONAL GROUPS ONTO HIGH VALUE ORGANIC COMPOUNDS Freie Universität Berlin (DE) 2021-11-10 — — EP disclosed
WO-2020141195-A1 FLUORINE-CONTAINING COMPOUNDS FOR USE AS NUCLEOPHILIC REAGENTS FOR TRANSFERRING FUNCTIONAL GROUPS ONTO HIGH VALUE ORGANIC COMPOUNDS FREIE UNIVERSITÄT BERLIN (DE) 2020-07-09 — — WO disclosed
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