SCHEMBL27936293

SCHEMBL27936293

C[C@@H](CC=N)N1C=Cc2ccccc2C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL27936286 1.00 MEN1 (0.33) MEN1KMT2AHDAC3
SCHEMBL27936399 1.00 MEN1 (0.33) MEN1KMT2AHDAC3
SCHEMBL9809180 0.81 MEN1 (0.37) MEN1KMT2AHDAC3
SCHEMBL1128432 0.77 HDAC3 (0.35) MEN1KMT2AHDAC3
Iodide SCHEMBL10822526 0.76 HDAC3 (0.35) MEN1KMT2AHDAC3
SCHEMBL5141014 0.74 HDAC3 (0.37) MEN1KMT2AHDAC3
SCHEMBL27917854 0.71 PRMT5 (0.31) MEN1KMT2AHDAC3
SCHEMBL30796154 0.67 HDAC3 (0.38) HDAC3
SCHEMBL2333230 0.67 HDAC3 (0.39) HDAC3
SCHEMBL2927708 0.65 ALDH1A1 (0.43) MEN1KMT2AHDAC3

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-103254172-A Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS INC 2013-08-21 CN disclosed