SCHEMBL5545797

SCHEMBL5545797

ONCc1cccc2nccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
USP2 O75604 1/20 0.48
HDAC6 Q9UBN7 2/20 0.43
MAPK8 P45983 3/20 0.41
MAPK9 P45984 3/20 0.41
MAPK10 P53779 3/20 0.41
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL5547096 0.78 KDM4E (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8596016 0.75 MAPT (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL25846851 0.75 LOXL2 (0.52) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL30002633 0.75 MAPT (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7119359 0.75 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2340487 0.75 MAPT (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3820241 0.75 MAPT (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL18617684 0.75 MAPT (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL24522644 0.74 HDAC6 (0.71) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5550516 0.73 KDM4E (0.34) MAPTKDM4EHDAC6THRB

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-101107000-A 3,6-bicyclolides ENANTA PHARM INC (US) 2008-01-16 CN disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed