SCHEMBL6320401

SCHEMBL6320401

O=C(CC(C(=O)c1ccc(F)cc1)n1cncn1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HSP90AA1 P07900 3/20 0.43
RAB9A P51151 2/20 0.42
RAD52 P43351 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
DRD3 P35462 1/20 0.39
CYP19A1 P11511 4/20 0.39
NPC1 O15118 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL6204190 0.84 MAPT (0.57) MAPTRAB9AALDH1A1KMT2AMEN1
SCHEMBL10418945 0.82 HSP90AA1 (0.48) MAPTHSP90AA1ALDH1A1KMT2AMEN1
SCHEMBL11643096 0.81 HSP90AA1 (0.47) MAPTHSP90AA1RAB9AKMT2AMEN1
SCHEMBL11641005 0.81 MAPT (0.56) MAPTHSP90AA1RAB9ARAD52KMT2A
SCHEMBL6319766 0.80 MAPT (0.44) MAPTHSP90AA1RAB9AALDH1A1KMT2A
SCHEMBL6202608 0.77 MAPT (0.67) MAPTHSP90AA1RAB9AALDH1A1KDM4E
SCHEMBL10799736 0.76 MAPT (0.49) MAPTHSP90AA1ALDH1A1KMT2AMEN1
SCHEMBL6222574 0.75 CYP19A1 (0.49) MAPTRAB9AKMT2AMEN1CYP19A1
SCHEMBL1874758 0.74 HSP90AA1 (0.47) HSP90AA1KMT2ACYP19A1
SCHEMBL6325976 0.74 CYP1A2 (0.52) MAPTHSP90AA1ALDH1A1KDM4EL3MBTL1

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed