SCHEMBL10444569

SCHEMBL10444569

CO/N=C1\CCOc2ccc(N)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSL P07711 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.31
DYRK1A Q13627 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
HTR2A P28223 1/20 0.30
PRKCI P41743 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL10444570 1.00 KDM4E (0.42) KDM4EALDH1A1L3MBTL1CTSLNPSR1
SCHEMBL1982627 0.83 KDM4E (0.56) KDM4EALDH1A1L3MBTL1CTSLNPSR1
SCHEMBL428191 0.83 PIK3CA (0.42) KDM4EALDH1A1L3MBTL1CTSLNPSR1
SCHEMBL8027812 0.82 KDM4E (0.43) KDM4EALDH1A1L3MBTL1CTSLNPSR1
SCHEMBL11621741 0.80 KDM4E (0.45) KDM4EALDH1A1L3MBTL1CTSLNPSR1
SCHEMBL11621739 0.80 KDM4E (0.45) KDM4EALDH1A1L3MBTL1CTSLNPSR1
SCHEMBL11540675 0.79 KDM4E (0.41) KDM4EALDH1A1L3MBTL1CTSLNPSR1
SCHEMBL11540672 0.79 KDM4E (0.41) KDM4EALDH1A1L3MBTL1CTSLNPSR1
SCHEMBL17146135 0.78 MEN1 (0.40) KDM4EALDH1A1L3MBTL1MAPTPKM
SCHEMBL13167842 0.78 MEN1 (0.40) KDM4EALDH1A1L3MBTL1MAPTPKM

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-0400403-A2 N-aryl-nitrogen-heterocycles BAYER AG (DE) 1990-12-05 EP disclosed