SCHEMBL20038482

SCHEMBL20038482

NCN1CCN(CC(N)=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.42
RAD52 P43351 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
STAT6 P42226 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL2821117 0.89 KDM4E (0.68) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL5307853 0.89
SCHEMBL458012 0.89 KDM4E (0.68) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL3624681 0.89 KDM4E (0.68) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL23014621 0.82 KDM4E (0.60) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL7748218 0.82 KDM4E (0.60) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL8036117 0.80 KDM4E (0.58) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL16731723 0.80 KDM4E (0.58) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL16656262 0.80 HSD17B10 (0.52) KDM4EALDH1A1GAASTAT6SMN1; SMN2
SCHEMBL13654249 0.80 KDM4E (0.58) KDM4ETSHRPOLBPKMALDH1A1

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-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed