SCHEMBL28044244

SCHEMBL28044244

C[CH]c1cccc(CCBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TAAR1 Q96RJ0 9/20 0.35
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
PLAU P00749 1/20 0.31

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
SCHEMBL28334610 0.83 ALDH1A1 (0.42) TDP1CYP4F2CYP4A11MAOAMAOB
SCHEMBL2920783 0.82 CNR1 (0.39) CYP4F2CYP4A11TAAR1DRD2DRD1
SCHEMBL27780984 0.80 ALDH1A1 (0.50) TDP1CYP4F2CYP4A11TAAR1MAOA
SCHEMBL9651450 0.80 TDP1 (0.46) TDP1CYP4F2CYP4A11TAAR1MEN1
SCHEMBL2918719 0.78 LPL (0.46) TDP1
SCHEMBL7148962 0.78 MEN1 (0.46) MEN1KMT2AMAOAMAOB
SCHEMBL4427688 0.78 TDP1 (0.65) TDP1TAAR1DRD2DRD1DRD4
SCHEMBL677236 0.77 LPL (0.53) TDP1
SCHEMBL1003365 0.77 TP53 (0.44) CYP1A2
SCHEMBL677064 0.76 LPL (0.54) TDP1

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
CN-105143170-A Substituted aromatic compounds for the treatment of pulmonary fibrosis, liver fibrosis, skin fibrosis and cardiac fibrosis PROMETIC BIOSCIENCES INC 2015-12-09 CN disclosed