SCHEMBL4795214

SCHEMBL4795214

CCOC(=O)c1n[nH]c2ccc(B3CC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
POLB P06746 2/20 0.41
MAPT P10636 7/20 0.38
NPC1 O15118 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
RAB9A P51151 5/20 0.38
HSD17B10 Q99714 4/20 0.38
USP2 O75604 3/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK10 P53779 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 3/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
STAT3 P40763 1/20 0.37

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
SCHEMBL5472147 0.84 KDM4E (0.55) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL4794018 0.75 KDM4E (0.55) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL4101185 0.72 KDM4E (0.68) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL1176020 0.72 KDM4E (0.60) KDM4EPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL5922444 0.71 KDM4E (0.66) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL960087 0.71 KDM4E (0.66) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL1636035 0.71 KDM4E (0.66) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL31507475 0.70 KDM4E (0.64) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL493081 0.70 KDM4E (0.64) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL29709972 0.68 KDM4E (1.00) KDM4EPOLBMAPTNPC1SMN1; SMN2

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
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed