SCHEMBL8994430

SCHEMBL8994430

O=C(O)c1c(F)cc(F)c(C(=O)O)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 3/20 0.48
KDM4E B2RXH2 4/20 0.40
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
ASPH Q12797 2/20 0.40
KDM8 Q8N371 2/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL364018 0.90 CA1 (0.50) CA1CA2CA4KDM4ECES2
SCHEMBL8381310 0.85 CA1 (0.41) CA1CA2CA4KDM4ECES2
SCHEMBL7567840 0.84 CA1 (0.56) CA1CA2CA4KDM4ECES2
SCHEMBL30143455 0.84 CA1 (0.56) CA1CA2CA4KDM4ECES2
SCHEMBL27504833 0.84 CA1 (0.40) CA1CA2CA4CES2CES1
SCHEMBL6045011 0.84 CA1 (0.40) CA1CA2CA4CES2CES1
SCHEMBL8073361 0.84 CA1 (0.40) CA1CA2CA4KDM4ECES2
SCHEMBL503507 0.83 CA1 (0.61) CA1CA2CA4KDM4ECES2
SCHEMBL28522302 0.81 CA1 (0.58) CA1CA2CA4KDM4ECES2
SCHEMBL29154297 0.81 CA1 (0.58) CA1CA2CA4KDM4ECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510533-A Process for producing 3,5-difluoroaniline and derivative thereof SDS BIOTECH K.K. (JP) 1996-04-23 US claimed
EP-0460639-B1 Process for producing 3,5-difluoroaniline and derivative thereof SDS BIOTECH CORP (JP) 1995-12-27 EP claimed
EP-0460639-A1 Process for producing 3,5-difluoroaniline and derivative thereof SDS Biotech K.K. (JP) 1991-12-11 EP claimed
JP-4066545-A None JP disclosed
US-5510533-A Process for producing 3,5-difluoroaniline and derivative thereof SDS BIOTECH K.K. (JP) 1996-04-23 US disclosed
EP-0460639-B1 Process for producing 3,5-difluoroaniline and derivative thereof SDS BIOTECH CORP (JP) 1995-12-27 EP disclosed
JP-H0466545-A PRODUCTION OF TRIFLUOROBENZENE SDS BIOTECH KK 1992-03-02 JP disclosed
EP-0460639-A1 Process for producing 3,5-difluoroaniline and derivative thereof SDS Biotech K.K. (JP) 1991-12-11 EP disclosed