SCHEMBL5034414

SCHEMBL5034414

CC(C)(C)OC(=O)NC1Cc2ccccc2C1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
ATM Q13315 1/20 0.42
KDM1A O60341 2/20 0.42
MAOB P27338 2/20 0.42
DRD2 P14416 3/20 0.40
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
IDO1 P14902 1/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 1/20 0.38
MAOA P21397 1/20 0.37
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
KCNH2 Q12809 2/20 0.35
GHSR Q92847 2/20 0.35
OPRM1 P35372 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL14259285 1.00 EPHX2 (0.47) EPHX2ATMKDM1AMAOBDRD2
SCHEMBL4758658 0.92 EPHX2 (0.44) EPHX2ATMKDM1AMAOBDRD2
SCHEMBL4654164 0.88 EPHX2 (0.48) EPHX2ATMKDM1AMAOBDRD2
SCHEMBL7423742 0.88 EPHX2 (0.48) EPHX2ATMKDM1AMAOBDRD2
SCHEMBL14016078 0.88 EPHX2 (0.48) EPHX2ATMKDM1AMAOBDRD2
SCHEMBL14015839 0.87 EPHX2 (0.47) EPHX2ATMKDM1AMAOBDRD2
SCHEMBL4914877 0.87 EPHX2 (0.47) EPHX2ATMKDM1AMAOBDRD2
SCHEMBL14348198 0.84 EPHX2 (0.49) EPHX2ATMKDM1AMAOBDRD2
SCHEMBL8310630 0.84 EPHX2 (0.49) EPHX2ATMKDM1AMAOBDRD2
SCHEMBL7328550 0.81 EPHX2 (0.49) EPHX2ATMKDM1AMAOBDRD2

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-1896086-A1 HYDRAZIDE CONJUGATES AS IMAGING AGENTS Bristol-Myers Squibb Pharma Company (US) 2008-03-12 EP disclosed
WO-2007005491-A1 HYDRAZIDE CONJUGATES AS IMAGING AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-01-11 WO disclosed