SCHEMBL5490232

SCHEMBL5490232

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.44
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.34
GSTO1 P78417 3/20 0.34
ACACB O00763 2/20 0.33
AKT1 P31749 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F13A1 P00488 1/20 0.33
LMNA P02545 1/20 0.33
TGM1 P22735 1/20 0.33
TGM3 Q08188 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL351499 0.76 THRB (0.45) TGM2CYP2C19ALDH1A1CYP3A4THRB
SCHEMBL5490229 0.71 TGM2 (0.45) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL10882964 0.69 THRB (0.58) TGM2ALDH1A1CYP3A4THRBTSHR
SCHEMBL28811008 0.68 ELANE (0.46) TGM2ALDH1A1THRBTSHRACACB
SCHEMBL6046998 0.66 CA4 (0.42) ALDH1A1TSHRLMNA
SCHEMBL10193855 0.66 TGM2 (0.54) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL17320255 0.66 TGM2 (0.52) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL345815 0.66 TGM2 (0.52) TGM2CYP2C19ALDH1A1TSHRAKT1
SCHEMBL3903507 0.66 CYP2C19 (0.68) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL1831386 0.66 THRB (0.44) TGM2CYP2C19ALDH1A1CYP2C9THRB

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