SCHEMBL28906138

SCHEMBL28906138

O=c1c(NCc2ccccc2)noc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
HPGD P15428 3/20 0.48
HTT P42858 2/20 0.48
HSD17B10 Q99714 1/20 0.48
APP P05067 3/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
KCNA5 P22460 1/20 0.46
GAA P10253 1/20 0.46
RAD52 P43351 1/20 0.45
ELANE P08246 1/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
GALR3 O60755 2/20 0.44
NR2F2 P24468 2/20 0.44
ACHE P22303 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
UBE2N P61088 1/20 0.44

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
SCHEMBL29940885 1.00 EPHX2 (0.57) EPHX2HPGDHTTHSD17B10APP
SCHEMBL2769062 0.76 EPHX2 (0.68) EPHX2APPALDH1A1KCNA5KMT2A
SCHEMBL28906172 0.74 SMN1; SMN2 (0.47) KDM4EKCNA5KMT2ALMNAMEN1
SCHEMBL2769744 0.72 EPHX2 (1.00) EPHX2APPKCNA5
SCHEMBL29941215 0.71 CHRNA7 (0.48) EPHX2HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL28906139 0.71 CHRNA7 (0.48) EPHX2HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL2769999 0.71 MAOB (0.54) EPHX2HPGDHTTALDH1A1KDM4E
SCHEMBL13146632 0.71 EPHX2 (0.51) EPHX2HPGDHTTHSD17B10APP
SCHEMBL2768006 0.71 EPHX2 (0.72) EPHX2HTTKCNA5KMT2AMEN1
SCHEMBL13180234 0.71 EPHX2 (0.64) EPHX2HTTKCNA5KMT2ALMNA

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
CN-115109006-A 3-substituted-1, 2-benzoxazine-4-ketone compound and preparation method thereof 上海大学 2022-09-27 CN disclosed