SCHEMBL8389286

SCHEMBL8389286

CSc1c(CC(=O)O)ccc2c1[nH]c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
EGFR P00533 2/20 0.46
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MPL P40238 2/20 0.42
PIM3 Q86V86 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
PARP14 Q460N5 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
SCHEMBL4535317 0.83 MAPT (0.62) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL8387318 0.81 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL8390363 0.80 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL5684603 0.78 GRIN2D (0.59) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL30443913 0.78 GRIN2D (0.59) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL8391232 0.78 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
Methane SCHEMBL3681080 0.78 MAPT (0.46) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL8387354 0.77 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL8389032 0.77 PPARG (0.42) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL8390401 0.76 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877199-A ALZHEIMER'S DISEASE; SEDATIVE SANKYO COMPANY, LIMITED (JP) 1999-03-02 US disclosed
EP-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed