SCHEMBL28082063

SCHEMBL28082063

CCOC(=O)c1cnc(N2CCCCC2)nc1CO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
PDE4B Q07343 1/20 0.48
ADORA3 P0DMS8 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
LMNA P02545 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KDM4E B2RXH2 1/20 0.45
DYRK1A Q13627 1/20 0.44
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PIK3CD O00329 1/20 0.43

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
SCHEMBL28059200 0.86 POLB (0.68) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL14590442 0.84 MAPT (0.55) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL14626215 0.83 MAPT (0.57) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL14626136 0.82 MAPT (0.56) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL12929736 0.81 ALDH1A1 (0.61) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL25260381 0.81 MAPT (0.48) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL12929652 0.80 ALDH1A1 (0.63) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL14590422 0.80 MAPT (0.63) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL9051143 0.79 POLB (0.51) MAPTPOLBSMN1; SMN2ADORA1LMNA
SCHEMBL9048339 0.79 POLB (0.51) MAPTPOLBSMN1; SMN2LMNAKDM4E

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
CN-105814049-B Fused tricyclic imdazole derivatives as TNF active regulator UCB生物制药私人有限公司 2019-03-12 CN disclosed
CN-105814049-A Fused tricyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed