SCHEMBL28033918

SCHEMBL28033918

CCCCNc1cc(C)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
LMNA P02545 3/20 0.56
TSHR P16473 3/20 0.56
MAPT P10636 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 4/20 0.52
POLB P06746 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
ACHE P22303 1/20 0.46
L3MBTL4 Q8NA19 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
CHRM2 P08172 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
QPCT Q16769 1/20 0.44

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
SCHEMBL9423574 0.94 GAA (0.60) GAATDP1LMNATSHRMAPT
SCHEMBL7531918 0.90 MAPT (0.59) GAATDP1LMNATSHRMAPT
SCHEMBL13433960 0.85 LMNA (0.55) GAATDP1LMNATSHRMAPT
SCHEMBL14141593 0.85 LMNA (0.55) GAALMNATSHRMAPTL3MBTL1
SCHEMBL4387302 0.82 MAPT (0.63) GAATDP1LMNATSHRMAPT
SCHEMBL27873244 0.82 LMNA (0.43) GAATDP1LMNATSHRMAPT
SCHEMBL11822323 0.81 MAPT (0.58) GAATDP1LMNATSHRMAPT
SCHEMBL23944778 0.78 LMNA (0.58) GAATDP1LMNATSHRMAPT
SCHEMBL10994125 0.78 GAA (0.54) GAATDP1LMNATSHRMAPT
SCHEMBL6173269 0.77 CHRM2 (0.70) GAAMAPTL3MBTL1ALDH1A1SMN1; SMN2

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-105085576-A Pyridinamine-based chromium complex and preparation method and application thereof UNIV EAST CHINA SCIENCE & TECH 2015-11-25 CN disclosed