SCHEMBL3129338

SCHEMBL3129338

Cc1cccc(CCCCCC(C(O)C(C)(C)C)n2cncn2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.38
HSP90AA1 P07900 2/20 0.38
POLB P06746 1/20 0.38
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PPARG P37231 1/20 0.36
NAAA Q02083 1/20 0.35
TAAR1 Q96RJ0 2/20 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
SCHEMBL13447836 0.88 KMT2A (0.57) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL12418678 0.86 MEN1 (0.56) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL12394776 0.83 KMT2A (0.60) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL13447835 0.81 MEN1 (0.56) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL3119229 0.81 MAPT (0.57) KMT2AMEN1MAPTHSP90AA1CYP19A1
SCHEMBL1964298 0.80 MEN1 (0.57) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL12418677 0.80 MEN1 (0.74) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL12418543 0.79 MEN1 (0.58) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL3119242 0.78 MEN1 (0.54) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL12418541 0.78 KMT2A (0.60) KMT2AMEN1TDP1MAPTHSP90AA1

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
WO-2010031842-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THEIR USE AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-03-25 WO disclosed