SCHEMBL27375830

SCHEMBL27375830

O=C(O)C1Cc2c(ccc(F)c2Cl)N1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL27515096 1.00 GAA (0.45) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL12620402 0.81 GAA (0.45) GAAMAPT
SCHEMBL27479513 0.81 GAA (0.45) GAAMAPT
SCHEMBL27462590 0.81 GAA (0.44) GAAMAPT
SCHEMBL4999605 0.78 GAA (0.56) GAAMAPT
SCHEMBL15311795 0.73 HTR2C (0.39) ALDH1A1SMN1; SMN2
SCHEMBL25758885 0.73 GAA (0.42) GAAMAPT
SCHEMBL24448407 0.72 GAA (0.45) GAAMAPT
SCHEMBL19066011 0.72 GAA (0.62) GAAMAPT
SCHEMBL27930597 0.72 GAA (0.62) GAAMAPT

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
CN-1061341-C 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 2001-01-31 CN disclosed
CN-1142492-A Substituted N-(indole-2-carbonyl)-glycinamides and derivatives as antidiabetic agents PFIZER (US) 1997-02-12 CN disclosed
CN-1105988-A 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 1995-08-02 CN disclosed