SCHEMBL8652111

SCHEMBL8652111

COC(=O)c1c2cccccc-2c(-c2ccccc2)c1-c1ccc(S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PARG Q86W56 1/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.42
PTGS2 P35354 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.40
CNR1 P21554 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8648049 0.88 MAPT (0.46) MAPTNPSR1PARGALDH1A1L3MBTL1
SCHEMBL8652124 0.84 PARG (0.47) MAPTNPSR1PARGALDH1A1L3MBTL1
SCHEMBL8646855 0.83 PTGS2 (0.59) ALDH1A1LMNAPTGS2SMN1; SMN2HTT
SCHEMBL27802067 0.77 ALDH1A1 (0.56) MAPTPARGALDH1A1L3MBTL1LMNA
SCHEMBL8647809 0.76 PARG (0.54) MAPTPARGALDH1A1L3MBTL1LMNA
SCHEMBL8650648 0.74 L3MBTL1 (0.52) MAPTALDH1A1L3MBTL1LMNAPTGS2
SCHEMBL6163597 0.70 GPR119 (0.53) ALDH1A1PTGS2
SCHEMBL11227892 0.70 LMNA (0.64) MAPTALDH1A1L3MBTL1LMNAMEN1
SCHEMBL19397824 0.70 FGFR1 (0.56) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL349527 0.70 MAPT (0.66) MAPTNPSR1PARGALDH1A1LMNA

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-5843999-A 2-phenylazulene derivatives and a manufacturing method of these compounds KOTOBUKI SEIYAKU CO., LTD. (JP) 1998-12-01 US disclosed