SCHEMBL8761644

SCHEMBL8761644

Nc1cccc(OS(=O)(=O)c2cccc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
F2 P00734 5/20 0.43
PGR P06401 1/20 0.43
MAOB P27338 1/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TYMS P04818 1/20 0.39
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL5176359 0.84 CA1 (0.53) HTR6CA1CA2CA9CNR1
SCHEMBL27269224 0.82 CA1 (0.52) HTR6CA1CA2CA9CNR1
SCHEMBL29930274 0.81 CNR1 (0.53) HTR6CA1CA2CA9CNR1
Formaldehyde SCHEMBL27861000 0.81 CA1 (0.50) HTR6CA1CA2CA9CNR1
SCHEMBL6666097 0.80 MEN1 (0.55) HTR6CA1CA2CA9F2
SCHEMBL8761703 0.78 MAOB (0.45) CA1CA2CA9MAOBALDH1A1
SCHEMBL9479704 0.77 PGR (0.51) HTR6CA1CA2CA9CNR1
SCHEMBL8761645 0.77 L3MBTL1 (0.55) HTR6CA1CA2CA9F2
SCHEMBL22187225 0.76 CA2 (0.48) CA1CA2CA9CNR1CNR2
SCHEMBL29673529 0.76 CA2 (0.48) CA1CA2CA9CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562824-B1 Thermal recording material FUJI PHOTO FILM CO LTD (JP) 1997-06-11 EP disclosed
US-5464804-A Heat sensitive color layer with electron donor, colorless dye is black color aminofluoran, amino compound and isocyanate compound FUJI PHOTO FILM CO., LTD. (JP) 1995-11-07 US disclosed
US-5288688-A Comprising electron-donating colorless dye, isocyanate and amino compounds; antifogging, discoloration inhibition, storage stability FUJI PHOTO FILM CO., LTD. (JP) 1994-02-22 US disclosed
EP-0562824-A2 Thermal recording material FUJI PHOTO FILM CO., LTD. (JP) 1993-09-29 EP disclosed