SCHEMBL28293968

SCHEMBL28293968

COc1ccc(C(c2c[nH]c3ccccc23)N2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.61
PGR P06401 1/20 0.61
NR3C2 P08235 1/20 0.61
AR P10275 1/20 0.61
AHR P35869 1/20 0.53
GAA P10253 4/20 0.51
MGAM O43451 2/20 0.51
SI P14410 2/20 0.51
MGAM2 Q2M2H8 2/20 0.51
MAPT P10636 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
USP2 O75604 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
P4HB P07237 2/20 0.47

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
SCHEMBL5260086 0.85 GPR84 (0.47) NR3C1PGRNR3C2ARGAA
SCHEMBL5261760 0.84 GPR84 (0.46) NR3C1PGRNR3C2ARGAA
SCHEMBL28093308 0.82 P4HB (0.44) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL28295795 0.82 P4HB (0.49) NR3C1PGRNR3C2ARMAPT
SCHEMBL29802857 0.78 NR3C1 (0.89) NR3C1PGRNR3C2ARAHR
SCHEMBL2546810 0.78 NR3C1 (0.89) NR3C1PGRNR3C2ARAHR
SCHEMBL28293850 0.78 NR3C1 (0.55) NR3C1PGRNR3C2ARAHR
SCHEMBL8291286 0.77 MAPT (0.69) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL10836161 0.76 NR3C1 (0.70) NR3C1PGRNR3C2ARAHR
SCHEMBL28295738 0.74 OPRL1 (0.44) MAPTMEN1KMT2AALDH1A1RAB9A

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
CN-109645008-A The application of donaxine and its derivative in Antiphytoviral and germ 河北工业大学 2019-04-19 CN claimed
CN-109645008-A The application of donaxine and its derivative in Antiphytoviral and germ 河北工业大学 2019-04-19 CN disclosed