SCHEMBL5490229

SCHEMBL5490229

C=CC(=O)NC(Br)(Br)C(Br)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.45
ALDH1A1 P00352 6/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GSTO1 P78417 1/20 0.35
AKT1 P31749 1/20 0.34
LMNA P02545 3/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
F13A1 P00488 1/20 0.33
TGM1 P22735 1/20 0.33
TGM3 Q08188 1/20 0.33
HPGD P15428 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
SCHEMBL1831386 0.73 THRB (0.44) TGM2ALDH1A1CYP2C19CYP2C9MEN1
SCHEMBL5490232 0.71 TGM2 (0.44) TGM2ALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL19583249 0.71 TGM2 (0.41) TGM2ALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL11723326 0.69 MEN1 (0.41) ALDH1A1CYP2C19CYP2C9MEN1KMT2A
SCHEMBL7876976 0.68 ALDH1A1 (0.61) TGM2ALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL6046992 0.67 LTA4H (0.39) ALDH1A1CYP2C19CYP2C9MEN1KMT2A
SCHEMBL10193855 0.67 TGM2 (0.54) TGM2ALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL730210 0.67 ALDH1A1 (0.53) TGM2ALDH1A1CYP2C19CYP3A4CYP2C9
Acrylic Acid SCHEMBL27040911 0.67 THRB (0.43) TGM2ALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL6908098 0.67 ALDH1A1 (0.53) TGM2ALDH1A1CYP2C19CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070042275-A1 Composition for optical recording, optical recording medium, and production method thereof FUJI PHOTO FILM CO., LTD. 2007-02-22 US disclosed