SCHEMBL5749006

SCHEMBL5749006

NC(=O)c1[c]ccc2cc3ccccc3cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
GAA P10253 3/20 0.54
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.34
SIRT2 Q8IXJ6 3/20 0.33
SIRT1 Q96EB6 3/20 0.33
SIRT3 Q9NTG7 3/20 0.33
IKBKB O14920 1/20 0.33
IDO1 P14902 1/20 0.33
HTT P42858 1/20 0.33
HTR2A P28223 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
SCHEMBL1229740 0.84 KDM4E (0.43) KDM4EALDH1A1GAAKMT2AMEN1
Hydrochloric Acid SCHEMBL8169298 0.82 KDM4E (0.42) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL3785573 0.76 LCK (0.44) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL4670596 0.76 LCK (0.36) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL5749003 0.72 KDM4E (0.59) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL1941944 0.72 ALDH1A1 (0.40) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL2253523 0.72 ALDH1A1 (0.40) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL29498815 0.71 KDM4E (1.00) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL30181949 0.71 KDM4E (1.00) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL29100415 0.71 KDM4E (1.00) KDM4EALDH1A1GAAKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed