SCHEMBL18921981

SCHEMBL18921981

CCc1nc2cc(B(C)C)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GRK6 P43250 1/20 0.40
MAPT P10636 6/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL5542189 0.79 GAA (0.56) GAAMEN1KMT2AMAPTNPC1
SCHEMBL10224642 0.79 GAA (0.69) GAAMEN1KMT2AGRK6MAPT
SCHEMBL13565572 0.77 GAA (0.55) GAAMEN1KMT2AGRK6MAPT
SCHEMBL993415 0.77 GAA (0.55) GAAMEN1KMT2AGRK6MAPT
SCHEMBL17876424 0.77 GAA (0.55) GAAMEN1KMT2AGRK6MAPT
SCHEMBL23188417 0.77 GAA (0.59) GAAMEN1KMT2AGRK6MAPT
SCHEMBL5542180 0.77 GAA (0.55) GAAMEN1KMT2AGRK6MAPT
SCHEMBL805061 0.77 MEN1 (0.71) GAAMEN1KMT2AMAPTNPC1
SCHEMBL993416 0.77 GRK6 (0.64) GAAMEN1KMT2AGRK6MAPT
SCHEMBL24251892 0.77 GAA (0.51) GAAMEN1KMT2AGRK6MAPT

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-9669032-B2 Enhanced treatment regimens using mTOR inhibitors INTELLIKINE LLC (US) 2017-06-06 US disclosed