SCHEMBL2448741

SCHEMBL2448741

COc1ccccc1CN1CCCC(C(N)=O)C1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.71
ALDH1A1 P00352 3/20 0.66
KMT2A Q03164 3/20 0.63
MEN1 O00255 1/20 0.63
PTPN11 Q06124 1/20 0.62
TSHR P16473 2/20 0.58
MBTPS1 Q14703 1/20 0.57
MAPK1 P28482 2/20 0.57
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
KDM2B Q8NHM5 2/20 0.54

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
SCHEMBL3696689 0.89 KDM4E (0.72) KDM4EALDH1A1KMT2AMEN1PTPN11
Hydrochloric Acid SCHEMBL695272 0.89 KDM4E (0.71) KDM4EALDH1A1KMT2AMEN1PTPN11
SCHEMBL21926834 0.86 KDM4E (0.71) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL3164353 0.81 MAPT (0.63) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL1080500 0.81 MAPK1 (0.57) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL8480867 0.79 KMT2A (0.60) KDM4EALDH1A1KMT2AMEN1PTPN11
SCHEMBL15084346 0.79 KMT2A (0.60) KDM4EALDH1A1KMT2AMEN1PTPN11
Hydrochloric Acid SCHEMBL695514 0.78 ALDH1A1 (0.58) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL2444402 0.78 GAA (0.77) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL3314498 0.78 GAA (0.77) KDM4EALDH1A1KMT2AMEN1MAPK1

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-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed