SCHEMBL28488709

SCHEMBL28488709

NCCC(N)c1ccnc(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL4256516 0.81 MAPK9 (0.35) MAPK9MAPK10
SCHEMBL28404695 0.75 MAPK9 (0.37) MAPK9MAPK10
SCHEMBL8509282 0.74 MAPK9 (0.39) MAPK9MAPK10
SCHEMBL2014685 0.70 TGFBR1 (0.39) MAPK9MAPK10
SCHEMBL558541 0.70 MAPK9 (0.39) MAPK9MAPK10
SCHEMBL3717840 0.69 HSP90AA1 (0.40) LOXL2
SCHEMBL22576353 0.69 MAPK9 (0.36) MAPK9MAPK10
SCHEMBL30463164 0.69 MAPK9 (0.34) MAPK9MAPK10
SCHEMBL4564037 0.69 MAPK9 (0.34) MAPK9MAPK10
SCHEMBL15918368 0.69 MAPK9 (0.34) MAPK9MAPK10

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-107739371-B Tetrahydrocarbazole micromolecule organic compound, application thereof in preparing antibacterial drugs and preparation method thereof 华东师范大学 2020-08-25 CN disclosed