SCHEMBL11029210

SCHEMBL11029210

COc1cc(NC=O)c(OC)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 3/20 0.41
GAA P10253 2/20 0.41
S100B P04271 1/20 0.40
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL28617698 0.88 HTT (0.47) KDM4EHTTGAAALDH1A1TSHR
SCHEMBL28285145 0.84 KDM4E (0.48) KDM4EHTTGAAALDH1A1CYP3A4
SCHEMBL24405402 0.79 KDM4E (0.39) KDM4EPKML3MBTL1POLBHTT
SCHEMBL5223314 0.76 ALDH1A1 (0.47) KDM4EL3MBTL1HTTGAAALDH1A1
SCHEMBL20038708 0.76 L3MBTL1 (0.48) KDM4EPKML3MBTL1POLBHTT
SCHEMBL29033611 0.75 KDM4E (0.50) KDM4EPOLBHTTCYP3A4MAPT
SCHEMBL926329 0.74 L3MBTL1 (0.67) KDM4EPKML3MBTL1POLBHTT
SCHEMBL7530972 0.74 KDM4E (0.53) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL28783724 0.74 KDM4E (0.45) KDM4EPOLBHTTGAAALDH1A1
SCHEMBL8022330 0.73 ALDH1A1 (0.50) KDM4EL3MBTL1POLBHTTGAA

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-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed