SCHEMBL9853425

SCHEMBL9853425

CSC(C)c1ccc2c(n1)Oc1ccccc1C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 5/20 0.33
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ACVR1 Q04771 2/20 0.33
LRRK2 Q5S007 2/20 0.33
PDGFRA P16234 1/20 0.33
FER P16591 1/20 0.33
LTK P29376 1/20 0.33
CDK8 P49336 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
TP53 P04637 2/20 0.32
CSNK1G1 Q9HCP0 1/20 0.32
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 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
SCHEMBL4913380 0.75 KDM4E (0.41) KDM4EMAPTTDP1L3MBTL1POLB
SCHEMBL9853428 0.75 KDM4E (0.37) KDM4EMAPTTDP1L3MBTL1POLB
SCHEMBL1366624 0.73 JUN (0.42) KDM4EMAPTTDP1L3MBTL1POLB
SCHEMBL7336729 0.69 CYP1A2 (0.55) KDM4EMAPTTDP1L3MBTL1POLB
SCHEMBL16061960 0.69 JUN (0.54) KDM4EMAPTTDP1L3MBTL1POLB
SCHEMBL380110 0.66 ALOX5 (0.61) KDM4EMAPTTDP1L3MBTL1POLB
SCHEMBL17975286 0.64 CSNK1G1 (0.56) KDM4EMAPTTDP1L3MBTL1POLB
SCHEMBL21129370 0.61 BCHE (0.47) KDM4EMAPTTDP1L3MBTL1POLB
SCHEMBL9853252 0.61 MAPT (0.45) KDM4EMAPTTDP1L3MBTL1POLB
SCHEMBL17988251 0.61 MAPT (0.48) KDM4EMAPTTDP1L3MBTL1POLB

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-0417534-A1 Pyrido[2,3-b][1,4]benzoxazepin (and thiazepin)-6(5H)-ones and thiones and their use in the prevention or treatment of AIDS Boehringer Ingelheim Pharmaceuticals Inc. (US) 1991-03-20 EP disclosed