SCHEMBL14976217

SCHEMBL14976217

CC(C)(C)OC(=O)N(c1ccc(Nc2nc(Cl)nc(Cl)c2[N+](=O)[O-])cc1)C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.37
PRMT1 Q99873 1/20 0.37
MAPT P10636 6/20 0.34
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SYK P43405 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
LMNA P02545 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL14976522 0.90 GPR119 (0.38) GPR119PRMT1MAPTMEN1KMT2A
SCHEMBL14975840 0.87 CA1 (0.48) GPR119PRMT1CA1CA2CA7
SCHEMBL14976833 0.83 MAPT (0.40) GPR119PRMT1MAPTMEN1KMT2A
SCHEMBL14976238 0.80 KMT2A (0.35) GPR119PRMT1MAPTMEN1KMT2A
SCHEMBL14976306 0.79 SYK (0.36) MEN1KMT2ASYK
SCHEMBL14976585 0.79 SYK (0.42) MEN1KMT2ASYK
SCHEMBL14976387 0.79 SYK (0.42) MEN1KMT2ASYK
SCHEMBL14976237 0.77 GPR119 (0.37) GPR119PRMT1MEN1KMT2ASYK
SCHEMBL14975697 0.76 GSK3B (0.37) GPR119MAPTMEN1KMT2AGSK3A
SCHEMBL14975788 0.76 KMT2A (0.40) GPR119PRMT1MEN1KMT2A

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
WO-2013078254-A1 BICYCLIC HETEROARYL DERIVATIVES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-05-30 WO disclosed