SCHEMBL10976246

SCHEMBL10976246

CCCCCC(C(=O)C(C)(C)c1ccc(C)cc1)n1cncn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MAPT P10636 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
PPARG P37231 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP26A1 O43174 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP19A1 P11511 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
SCHEMBL10407564 0.80 MAPT (0.55) KMT2AMAPTHSP90AA1CYP3A4LMNA
SCHEMBL12418531 0.78 MAPT (0.58) KMT2AMAPTHSP90AA1CYP3A4CYP1A2
SCHEMBL9023256 0.76 MAPT (0.48) KMT2AMAPTHSP90AA1CYP3A4CYP1A2
SCHEMBL10978264 0.76 KMT2A (0.42) KMT2AMAPTHSP90AA1MEN1
SCHEMBL11667101 0.73 MAPT (0.43) MAPTPPARG
SCHEMBL10976959 0.72 LCK (0.44) MAPTPPARGL3MBTL1CNR1CNR2
SCHEMBL12415427 0.72 MAPT (0.60) KMT2AMAPTHSP90AA1CYP3A4CYP1A2
SCHEMBL11001173 0.71 CYP3A4 (0.55) KMT2AMAPTHSP90AA1CYP3A4CYP1A2
SCHEMBL1965569 0.70 MAPT (0.53) KMT2AMAPTHSP90AA1CYP3A4MEN1
SCHEMBL1923770 0.70 MAPT (0.55) KMT2AMAPTHSP90AA1CYP3A4CYP1A2

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-0129798-A1 Fungicidal azole compounds, their preparation and use BASF Aktiengesellschaft (DE) 1985-01-02 EP disclosed