SCHEMBL28033503

SCHEMBL28033503

O=[N+]([O-])c1ccnc(Br)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 6/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 5/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
CTSB P07858 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CYP3A4 P08684 1/20 0.31
SOS1 Q07889 1/20 0.31

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
SCHEMBL3293002 0.77 PDE10A (0.36) PDE10AALDH1A1KDM4EGAAMAPT
SCHEMBL537339 0.75 MAPT (0.39) PDE10AALDH1A1KDM4EGAAMAPT
SCHEMBL12777859 0.75 ALDH1A1 (0.42) PDE10AALDH1A1KDM4EGAAMAPT
SCHEMBL1668366 0.75 PIN1 (0.39) PDE10AALDH1A1KDM4EMAPTMEN1
SCHEMBL251217 0.75 SOS1 (0.37) PDE10AALDH1A1PIK3CAPIK3CBPIK3CG
SCHEMBL1265708 0.75 ROCK1 (0.50) MAPTROCK1
SCHEMBL3614808 0.71 ALDH1A1 (0.42) ALDH1A1PIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL30413609 0.71 ALDH1A1 (0.42) ALDH1A1PIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL12344042 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL12341060 0.71 ALDH1A1 (0.36) PDE10AALDH1A1KDM4EGAAMAPT

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-105765031-B Novel light-emitting compound and organic light-emitting element comprising same 东进世美肯株式会社 2019-03-19 CN disclosed
CN-105765031-A Novel light-emitting compound and organic light-emitting element comprising same 东进世美肯株式会社 2016-07-13 CN disclosed
CN-105061433-A Synthetic method for 5-bromo-imidazo[1, 2-A]pyrimidine-3-carboxylate and corresponding acid thereof HENAN VIOLET TECHNOLOGY CO LTD 2015-11-18 CN disclosed