SCHEMBL7947568

SCHEMBL7947568

Oc1ccc(C(F)(F)F)cc1S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NQO2 P16083 1/20 0.47
KIF11 P52732 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CES2 O00748 4/20 0.41
PTGS2 P35354 1/20 0.40
PTGS1 P23219 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KCNMA1 Q12791 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL26062348 0.81 MEN1 (0.46) MEN1KMT2ANQO2KIF11KDM4E
SCHEMBL187014 0.80 NQO2 (0.61) MEN1KMT2ANQO2KIF11KDM4E
SCHEMBL7169139 0.79 ALDH1A1 (0.64) MEN1KMT2AKIF11KDM4ECYP1A2
SCHEMBL172788 0.76 ESR1 (0.64) MEN1KMT2ANQO2PTGS2TDP1
SCHEMBL863774 0.76 CES2 (0.55) MEN1KMT2ANQO2KIF11KDM4E
SCHEMBL2839880 0.76 PDE2A (0.50) MEN1KMT2ANQO2KIF11KDM4E
SCHEMBL23974528 0.74 MEN1 (0.48) MEN1KMT2ANQO2KIF11KDM4E
SCHEMBL1290586 0.74 ALOX15 (0.55) MEN1KMT2ANQO2KIF11KDM4E
SCHEMBL225921 0.74 PDE2A (0.53) MEN1KMT2ANQO2KIF11KDM4E
SCHEMBL365939 0.74 MEN1 (0.48) MEN1KMT2ANQO2KIF11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370219-A1 4-Trifluor methyl mercaptophenols and their preparation BAYER AG (DE) 1990-05-30 EP claimed
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
US-5382686-A Process for preparing nitrodiphenyl (thio) ethers BAYER AKTIENGESELLSCHAFT (DE) 1995-01-17 US disclosed
EP-0365915-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1994-04-20 EP disclosed
EP-0304725-B1 PROCESS FOR THE PREPARATION OF NITRO-DIPHENYL(THIO) ETHERS BAYER AG (DE) 1992-01-22 EP disclosed
US-4956370-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-09-11 US disclosed
EP-0370219-A1 4-Trifluor methyl mercaptophenols and their preparation BAYER AG (DE) 1990-05-30 EP disclosed
EP-0370219-A1 4-Trifluor methyl mercaptophenols and their preparation BAYER AG (DE) 1990-05-30 EP disclosed
EP-0370219-A1 4-Trifluor methyl mercaptophenols and their preparation BAYER AG (DE) 1990-05-30 EP disclosed
EP-0368008-A1 Fluorine-containing phenols BAYER AG (DE) 1990-05-16 EP disclosed
EP-0365915-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP disclosed