SCHEMBL28175682

SCHEMBL28175682

COc1cc(C(=O)c2ccccc2)c([N+](=O)[O-])c(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
LMNA P02545 6/20 0.60
TUBB4A P04350 4/20 0.49
TUBB P07437 4/20 0.49
TUBA3C P0DPH7 4/20 0.49
TUBA1B P68363 4/20 0.49
TUBA4A P68366 4/20 0.49
TUBB4B P68371 4/20 0.49
TUBB3 Q13509 4/20 0.49
TUBB2A Q13885 4/20 0.49
TUBB8 Q3ZCM7 4/20 0.49
TUBA3E Q6PEY2 4/20 0.49
TUBA1A Q71U36 4/20 0.49
TUBA1C Q9BQE3 4/20 0.49
TUBB6 Q9BUF5 4/20 0.49
TUBB2B Q9BVA1 4/20 0.49
TUBB1 Q9H4B7 4/20 0.49
MAPT P10636 6/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49

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
SCHEMBL27448977 0.85 MAPT (0.55) PKMLMNATUBB4ATUBBTUBA3C
SCHEMBL27686642 0.84 PKM (0.52) PKMLMNATUBB4ATUBBTUBA3C
SCHEMBL890810 0.83 PKM (1.00) PKMLMNAMAPTKDM4EHSD17B10
SCHEMBL10436235 0.81 TUBB4A (0.54) PKMLMNATUBB4ATUBBTUBA3C
SCHEMBL2137968 0.81 MAPT (0.58) LMNATUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL27462903 0.80 MAPT (0.56) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7434951 0.80 LMNA (0.51) PKMLMNATUBB4ATUBBTUBA3C
SCHEMBL27595882 0.79 LMNA (0.69) LMNAMAPTKDM4EHSD17B10CYP3A4
SCHEMBL11742991 0.79 MAPT (0.60) LMNAMAPTKDM4EHSD17B10CYP3A4
SCHEMBL30498928 0.79 PKM (0.75) PKMLMNAMAPTKDM4EHSD17B10

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-105541748-B 1,3,4 oxadiazole Mannich base class compounds and preparation and application containing piperazine 南开大学 2017-09-12 CN claimed