SCHEMBL6185372

SCHEMBL6185372

COC(=O)n1cnc2c(N)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ADA P00813 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
ADORA3 P0DMS8 4/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.34
FGFR1 P11362 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34

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
SCHEMBL2858266 0.84 HSP90AA1 (0.40) ADADDB1CRBNALDH1A1L3MBTL1
SCHEMBL7477788 0.83 ADA (0.43) KMT2AMEN1ADADDB1CRBN
SCHEMBL7352721 0.83 TRPM5 (0.41) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL7350749 0.78 ASAH1 (0.38) KMT2AMEN1ALDH1A1HSD17B10ADORA2A
SCHEMBL9791225 0.76 KMT2A (0.60) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL11216414 0.73 KMT2A (0.48) KMT2AMEN1ALDH1A1CFTRHSD17B10
SCHEMBL6189505 0.72 GLO1 (0.38)
SCHEMBL358722 0.71 DPP4 (0.44) ADADDB1CRBNALDH1A1HSD17B10
SCHEMBL24499272 0.70 ADA (0.40) ADADDB1CRBNHSD17B10MAPT
Hydrochloric Acid SCHEMBL6118670 0.69 DPP4 (0.43) ADADDB1CRBNALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed