SCHEMBL3839855

SCHEMBL3839855

FC(F)(F)c1cccc(N2CNC(S)N2CCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.56
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HTR1A P08908 5/20 0.45
▸ CTSK P43235 1/20 0.41
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40

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
SCHEMBL3836590 0.85 SLC6A3 (0.41) SIGMAR1HTR1ADRD2
SCHEMBL3840283 0.84 HTR1A (0.44) SIGMAR1MAPTHTR1ADRD2
SCHEMBL3146092 0.75 BCHE (0.45) SIGMAR1MAPTMAPK1DRD2POLB
SCHEMBL3839861 0.74 SIGMAR1 (0.51) SIGMAR1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL3454609 0.72 SIGMAR1 (1.00) SIGMAR1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL3839856 0.71 SIGMAR1 (0.54) SIGMAR1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL3146287 0.70 DRD4 (0.41) SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19305253 0.69 SIGMAR1 (0.51) SIGMAR1ALDH1A1MAPTSMN1; SMN2TSHR
Phenethylamine SCHEMBL28176974 0.68 ALDH1A1 (0.71) SIGMAR1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL3144726 0.67 DRD2 (0.37) SIGMAR1SMN1; SMN2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8714088-B2 Lithographic printing plate precursor and lithographic printing method FUJIFILM CORPORATION (JP) 2014-05-06 — — US disclosed
US-20090246700-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 — — US disclosed
US-20090246699-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 — — US disclosed
EP-2090933-A1 Lithographic printing plate precursor and printing method FUJIFILM Corporation (JP) 2009-08-19 — — EP disclosed
US-20090197205-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PRINTING METHOD FUJIFILM CORPORATION (JP) 2009-08-06 — — US disclosed
US-20090114108-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2009-05-07 — — US disclosed
EP-2006738-A2 Lithographic printing plate precursor and lithographic printing method Fujifilm Corporation (JP) 2008-12-24 — — EP disclosed
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