SCHEMBL27917869

SCHEMBL27917869

CC(CC(=N)Cc1ccc(Cl)c(Cl)c1)N1C=Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 9/20 0.42
SIGMAR1 Q99720 9/20 0.42
KCNH2 Q12809 6/20 0.41
OPRD1 P41143 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B3 P37058 1/20 0.34

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
SCHEMBL27917854 0.85 PRMT5 (0.31) KMT2AHSD17B3
SCHEMBL27917867 0.82 MEN1 (0.38) KMT2A
SCHEMBL27917858 0.81 MEN1 (0.38) SIGMAR1KCNH2KMT2A
SCHEMBL27936354 0.81
SCHEMBL27936378 0.81 NAMPT (0.31)
SCHEMBL27936267 0.81 DRD2 (0.31)
SCHEMBL27917863 0.80 PRMT5 (0.36) TMEM97SIGMAR1KCNH2
SCHEMBL9809180 0.69 MEN1 (0.37) TMEM97SIGMAR1KCNH2KMT2AHSD17B3
SCHEMBL27936399 0.68 MEN1 (0.33) KMT2A
SCHEMBL27936286 0.68 MEN1 (0.33) 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
CN-103254172-A Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS INC 2013-08-21 CN disclosed