SCHEMBL2561244

SCHEMBL2561244

N#CCNC(=O)CCCBr.O=C(O)CCCBr

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
EPHX2 P34913 3/20 0.39
TSHR P16473 2/20 0.38
BBOX1 O75936 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRA1A P35348 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
LMNA P02545 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KDM5C P41229 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34

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
SCHEMBL2569086 0.93 FAAH (0.44) FAAHTSHRSMN1; SMN2MAPT
SCHEMBL6866925 0.81 PHF8 (0.46) SMN1; SMN2LMNAKDM4EKDM5CEGLN1
SCHEMBL10630200 0.80 TSHR (0.43) FAAHTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL10628189 0.80 FAAH (0.46) FAAHTSHRSMN1; SMN2MAPT
Acetonitrile SCHEMBL28323144 0.78 LMNA (0.46) TSHRBBOX1HSD17B10MEN1KMT2A
SCHEMBL10634427 0.78 FAAH (0.50) FAAHEPHX2TSHRSMN1; SMN2MEN1
SCHEMBL10631585 0.76 MCL1 (0.46) FAAHMAPT
SCHEMBL2566414 0.74 MAPT (0.54) FAAHEPHX2TSHRHSD17B10MAPT
Ethane SCHEMBL1291473 0.73
SCHEMBL20263715 0.73 MCL1 (0.39) FAAHTSHRSMN1; SMN2MAPTKDM4E

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
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed