SCHEMBL16458490

SCHEMBL16458490

COc1ccc2c(n1)N(C(COCc1ccccc1)CO[Si](C)(C)C(C)(C)C)C(=O)CN2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL336121 1.00 MEN1 (0.32) MEN1ALDH1A1KMT2ALMNAMAPT
SCHEMBL334845 0.85
SCHEMBL18049497 0.65 CA1 (0.43) MEN1KMT2AMAPT
SCHEMBL10128117 0.65 TAAR1 (0.38) TAAR1
SCHEMBL4982796 0.64 CA1 (0.41) KMT2AMAPT
SCHEMBL335618 0.64 TXNRD1 (0.42) MAPTNPSR1TAAR1
SCHEMBL18049467 0.64 CA1 (0.41) KMT2A
SCHEMBL8719986 0.64 CA1 (0.43) KMT2A
SCHEMBL19890006 0.64 CA1 (0.40) KMT2A
SCHEMBL3784560 0.63 CA1 (0.42) KMT2A

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
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed