SCHEMBL28080844

SCHEMBL28080844

COc1ccc(-c2cn(Cc3cc(OC)c(OC)c(OC)c3)c(C(=O)C=O)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 6/20 0.44
TUBB P07437 6/20 0.44
TUBA3C P0DPH7 6/20 0.44
TUBA1B P68363 6/20 0.44
TUBA4A P68366 6/20 0.44
TUBB4B P68371 6/20 0.44
TUBB3 Q13509 6/20 0.44
TUBB2A Q13885 6/20 0.44
TUBB8 Q3ZCM7 6/20 0.44
TUBA3E Q6PEY2 6/20 0.44
TUBA1A Q71U36 6/20 0.44
TUBA1C Q9BQE3 6/20 0.44
TUBB6 Q9BUF5 6/20 0.44
TUBB2B Q9BVA1 6/20 0.44
TUBB1 Q9H4B7 6/20 0.44
HSP90AA1 P07900 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL28080830 0.90 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27962498 0.87 ICMT (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28831769 0.84 GFER (0.46) L3MBTL1MEN1KMT2AGFER
SCHEMBL28080966 0.82 GFER (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27960061 0.81 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27962503 0.80 PTAFR (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27962501 0.79 ICMT (0.43) HSP90AA1MEN1KMT2AHDAC1HDAC2
SCHEMBL28080836 0.71 F2RL3 (0.39)
SCHEMBL27962505 0.70 KMT2A (0.45) MEN1KMT2AATMHTTSMN1; SMN2
SCHEMBL27962502 0.69 HDAC4 (0.37) HDAC1HDAC2HDAC6HDAC3HDAC4

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-103804108-B A kind of method preparing primary amine 沈阳药科大学 2016-08-03 CN disclosed