SCHEMBL28295795

SCHEMBL28295795

COc1cc(C(c2c[nH]c3ccccc23)N2CCCC2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 3/20 0.49
SMAD3 P84022 2/20 0.48
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 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
SCHEMBL28293968 0.82 NR3C1 (0.61) P4HBSMAD3MAPTNPSR1MEN1
SCHEMBL21399556 0.80 MAPT (0.66) MAPTNPSR1MEN1KMT2ATDP1
SCHEMBL5260086 0.80 GPR84 (0.47) P4HBMAPTMEN1KMT2ANR3C1
SCHEMBL28293853 0.79 MAPT (0.43) MAPTNPSR1MEN1KMT2ATDP1
SCHEMBL12634295 0.79 TUBB4A (0.54) MAPTNPSR1MEN1KMT2ATDP1
SCHEMBL5261760 0.79 GPR84 (0.46) P4HBMAPTNPSR1MEN1KMT2A
SCHEMBL28093308 0.74 P4HB (0.44) P4HBMAPTNPSR1MEN1KMT2A
SCHEMBL5261297 0.74 IDO1 (0.50) P4HBSMAD3MAPTNPSR1MEN1
SCHEMBL5258263 0.73 IDO1 (0.49) P4HBSMAD3MAPTNPSR1MEN1
SCHEMBL28295738 0.71 OPRL1 (0.44) MAPTMEN1KMT2AGPR84FFAR1

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