SCHEMBL6253389

SCHEMBL6253389

NC(=O)c1ccccc1CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTPRG P23470 1/20 0.49
PNMT P11086 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CCR2 P41597 1/20 0.45
MAPK14 Q16539 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDPK1 O15530 1/20 0.45
RPS6KB1 P23443 2/20 0.44
AURKA O14965 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TBXA2R P21731 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44

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
SCHEMBL3461063 0.86 TBXA2R (0.55) KMT2AMEN1RECQLBLMTDP1
SCHEMBL21357052 0.83 ALDH1A1 (0.61) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL4735612 0.80 ALDH1A1 (0.54) KMT2AMEN1RECQLBLMTDP1
SCHEMBL940131 0.79 ALDH1A1 (0.60) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL5723969 0.78 CYP19A1 (0.50) KMT2ATAAR1L3MBTL1SLC6A5ALDH1A1
Hydrochloric Acid SCHEMBL28193722 0.77 ALDH1A1 (0.58) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL5724287 0.77 DRD2 (0.50) KMT2ATAAR1RPS6KB1AURKASLC6A5
SCHEMBL11782261 0.76 SIRT2 (0.48) KMT2ATAAR1L3MBTL1RPS6KB1AURKA
SCHEMBL29818302 0.76 SIRT2 (0.51) KMT2ATAAR1RPS6KB1AURKAALDH1A1
SCHEMBL11245059 0.76 IGF1R (0.54) KMT2AMEN1RECQLBLMTDP1

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
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 EP disclosed