SCHEMBL2653656

SCHEMBL2653656

CC1(c2ccc(Br)cn2)N=NN=N1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GBA1 P04062 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PLAU P00749 1/20 0.32
RAB9A P51151 5/20 0.32
FDPS P14324 1/20 0.32
NPC1 O15118 5/20 0.31
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL14946800 0.73 ALDH1A1 (0.39) ALDH1A1GBA1KDM4EADRA2AADRA2B
SCHEMBL3186402 0.71 ALDH1A1 (0.36) ALDH1A1GBA1KDM4EADRA2AADRA2B
SCHEMBL12951877 0.69 ALDH1A1 (0.35) ALDH1A1GBA1KDM4EADRA2AADRA2B
SCHEMBL19061363 0.69 GBA1 (0.34) ALDH1A1GBA1KDM4EADRA2AADRA2B
SCHEMBL12310257 0.65 ALDH1A1 (0.36) ALDH1A1GBA1KDM4ERAB9AFDPS
SCHEMBL2147572 0.65 ADRA2A (0.37) ALDH1A1GBA1KDM4EADRA2AADRA2B
SCHEMBL23601816 0.64 ALDH1A1 (0.34) ALDH1A1GBA1KDM4EADRA2AADRA2B
Hydrochloric Acid SCHEMBL15240864 0.64 ADRA2A (0.39) ALDH1A1GBA1KDM4EADRA2AADRA2B
SCHEMBL5737368 0.63 ADRA2A (0.33) ALDH1A1GBA1KDM4EADRA2AADRA2B
SCHEMBL6112557 0.63 KDM4E (0.38) ALDH1A1GBA1KDM4ERAB9ANPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699784-A4 NOVEL OXAZOLIDINONE DERIVATIVES DONG A PHARM CO LTD (KR) 2008-09-03 EP disclosed
EP-1699784-A1 NOVEL OXAZOLIDINONE DERIVATIVES Dong-A Pharmaceutical Co., Ltd. (KR) 2006-09-13 EP disclosed
EP-1646629-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP disclosed
EP-1594863-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS Prosidion Limited (GB) 2005-11-16 EP disclosed
WO-2005058886-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG-A PHARM.CO.,LTD. (KR) 2005-06-30 WO disclosed
WO-2005005398-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO disclosed
EP-1289984-A4 NOVEL OXAZOLIDINONE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF DONG A PHARM CO LTD (KR) 2004-11-24 EP disclosed
WO-2004072066-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS PROSIDION LIMITED (GB) 2004-08-26 WO disclosed
EP-1289984-A1 NOVEL OXAZOLIDINONE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF Dong A Pharmaceutical Co. Ltd. (KR) 2003-03-12 EP disclosed
WO-2001094342-A1 NOVEL OXAZOLIDINONE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF DONG A PHARM. CO., LTD. (KR) 2001-12-13 WO disclosed