SCHEMBL8934909

SCHEMBL8934909

CCOC(=O)CN(CC(=O)OCC)N(C)c1cccnc1-c1cc(-c2ccc(OC)cc2)cc(-c2ccccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.41
PPARG P37231 1/20 0.39
LTB4R Q15722 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CTSD P07339 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL8934919 0.85 ALDH1A1 (0.38) MAPTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL7770369 0.80 PPARG (0.41) METAP1PPARGLTB4RADORA3MAPT
SCHEMBL8548149 0.79 KMT2A (0.41) PPARGADORA3MAPTL3MBTL1KDM4E
SCHEMBL7770589 0.79 PPARG (0.41) METAP1PPARGLTB4RADORA3MAPT
SCHEMBL8824325 0.78 NPC1 (0.43) METAP1ADORA3L3MBTL1KDM4EALDH1A1
SCHEMBL31260432 0.73 NPC1 (0.57) METAP1ADORA3L3MBTL1KDM4EALDH1A1
SCHEMBL7454751 0.73 NPC1 (0.57) METAP1ADORA3L3MBTL1KDM4EALDH1A1
SCHEMBL12655918 0.71 ACACA (0.52) METAP1PPARGLTB4RMAPTL3MBTL1
SCHEMBL7026949 0.71 KDM4E (0.43) ADORA3L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL8935762 0.71 KMT2A (0.43) PPARGADORA3MAPTL3MBTL1KDM4E

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-5523402-A COMPLEXING AGENTS FOR TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1996-06-04 US disclosed