SCHEMBL11534459

SCHEMBL11534459

Clc1ccc(CC(c2ccccc2)n2cncn2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SLC6A4 P31645 2/20 0.54
CYP19A1 P11511 12/20 0.52
SLC6A2 P23975 1/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
CYP26A1 O43174 1/20 0.39

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
SCHEMBL11115308 0.79 MEN1 (0.67) MEN1KMT2ATDP1CYP19A1
SCHEMBL6202771 0.77 KMT2A (0.54) MEN1KMT2ATDP1CYP19A1HDAC8
SCHEMBL9363603 0.77 MEN1 (0.45) MEN1KMT2ATDP1SLC6A4CYP19A1
SCHEMBL10467590 0.75 MEN1 (0.69) MEN1KMT2ATDP1CYP19A1
SCHEMBL9191596 0.74 MEN1 (0.59) MEN1KMT2ATDP1CYP19A1
SCHEMBL10468609 0.72 KMT2A (0.56) MEN1KMT2ATDP1CYP19A1HDAC8
SCHEMBL11489337 0.72 MEN1 (1.00) MEN1KMT2ATDP1CYP19A1
SCHEMBL21654 0.72 MEN1 (1.00) MEN1KMT2ATDP1CYP19A1
SCHEMBL29934164 0.72 MEN1 (1.00) MEN1KMT2ATDP1CYP19A1
SCHEMBL11206165 0.71 CYP19A1 (0.51) MEN1KMT2ATDP1CYP19A1CYP26A1

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
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed