SCHEMBL28080832

SCHEMBL28080832

O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.44
LTA4H P09960 1/20 0.44
TSHR P16473 1/20 0.44
NR1H2 P55055 4/20 0.43
NR1H3 Q13133 4/20 0.43
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.40
TEAD3 Q99594 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NAAA Q02083 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL816698 0.83 MAPK1 (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6310937 0.78 LCK (0.57) LCKNR1H2NR1H3SMN1; SMN2
SCHEMBL26813218 0.78 SMN1; SMN2 (0.53) MAPK1ALDH1A1SMN1; SMN2
SCHEMBL15437985 0.78 CASP3 (0.59) LCKNR1H2NR1H3ALDH1A1MEN1
SCHEMBL9760236 0.77 SMN1; SMN2 (0.51) MAPK1ALDH1A1SMN1; SMN2
SCHEMBL28080838 0.75 GSK3A (0.61) LCKTSHRNR1H2NR1H3MAPK1
SCHEMBL6043712 0.74 MAPT (0.64) MAPK1SMN1; SMN2
SCHEMBL28080827 0.73 TDP1 (0.68) LCKTSHRNR1H2NR1H3MAPK1
SCHEMBL29644739 0.73 LCK (0.57) LCKTSHRNR1H2NR1H3MEN1
SCHEMBL15437828 0.73 NR1H2 (0.70) NR1H2NR1H3ALDH1A1MEN1KMT2A

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-103804108-B A kind of method preparing primary amine 沈阳药科大学 2016-08-03 CN disclosed