SCHEMBL2787477

SCHEMBL2787477

COCCSNC(=O)Nc1noc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
MAPT P10636 3/20 0.54
HIF1A Q16665 7/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 1/20 0.43
KCNJ6 P48051 1/20 0.43
KCNJ3 P48549 1/20 0.43
KCNA5 P22460 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL2783815 0.93 TP53 (0.52) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2788417 0.86 SMN1; SMN2 (0.49) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2785768 0.84 SMN1; SMN2 (0.51) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2784672 0.83 TP53 (0.48) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2787234 0.80 SMN1; SMN2 (0.47) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2788190 0.79 SMN1; SMN2 (0.55) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2786507 0.79 TP53 (0.49) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2786232 0.78 SMN1; SMN2 (0.47) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2786481 0.76 SMN1; SMN2 (0.51) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2786687 0.75 SMN1; SMN2 (0.49) TP53SMN1; SMN2MAPTHIF1AALOX15

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-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed