SCHEMBL7826463

SCHEMBL7826463

CC(CC(N)=O)c1cc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
KDM4E B2RXH2 7/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
FLT3 P36888 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
DAO P14920 1/20 0.42
SRD5A2 P31213 1/20 0.42
TSHR P16473 4/20 0.42
DRD2 P14416 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL9407553 0.86 ALOX5 (0.54) ALOX5KDM4ELMNATP53L3MBTL1
Ammonia Solution, Strong SCHEMBL11124630 0.85 ALOX5 (0.52) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL5475936 0.81 KDM4E (0.48) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL417540 0.80 ALOX5 (0.64) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL10759696 0.78 ALOX5 (0.51) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL8298140 0.77 ALOX5 (0.49) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL26012345 0.77 ALOX5 (0.49) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL7321932 0.77 ALOX5 (0.57) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL7837672 0.76 LOXL2 (0.51) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL27439583 0.76 ALOX5 (0.48) ALOX5KDM4ELMNATP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291683-B1 AS ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-09-18 US disclosed
EP-1070050-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
US-6121307-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT DEPRESSION AMERICAN HOME PRODUCTS CORP. (US) 2000-09-19 US disclosed
WO-1999051575-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed