SCHEMBL27717239

SCHEMBL27717239

NCc1ccc(C=O)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
CSNK2A1 P68400 10/20 0.46
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
PNMT P11086 2/20 0.41
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LOX P28300 1/20 0.38
LOXL3 P58215 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CYP3A4 P08684 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL27535920 0.85 TAAR1 (0.51) TDP1CSNK2A1PNMTTAAR1
SCHEMBL10490625 0.82 TDP1 (0.57) TDP1MEN1LMNAKMT2ANPSR1
SCHEMBL28033674 0.80 TDP1 (0.55) TDP1MEN1LMNAKMT2ANPSR1
SCHEMBL21338176 0.80 TDP1 (0.55) TDP1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL7161146 0.80 TDP1 (0.55) TDP1MEN1LMNAKMT2ANPSR1
SCHEMBL11809868 0.78 TDP1 (0.53) TDP1PNMTTAAR1MEN1LMNA
SCHEMBL7792891 0.78 TDP1 (0.57) TDP1MEN1LMNAKMT2A
SCHEMBL28098001 0.77 TDP1 (0.52) TDP1MEN1LMNAKMT2ANPSR1
SCHEMBL21151467 0.76 ALDH1A1 (0.43) LMNALOXL2
SCHEMBL29951419 0.76 TYR (0.47) TDP1TAAR1LMNAENPP2

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-101062892-A Synthesis of 2-(4-Bromomethylphenyl) ethylformic acid HANGZHOU PENTATOMIC SCIENCE & (CN) 2007-10-31 CN disclosed