SCHEMBL2569040

SCHEMBL2569040

N#CCCN.N#CCCNC(=O)CCl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LOX P28300 1/20 0.46
LOXL3 P58215 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MCL1 Q07820 2/20 0.37
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TEAD1 P28347 1/20 0.31
YAP1 P46937 1/20 0.31
TEAD4 Q15561 1/20 0.31
TEAD2 Q15562 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
SCHEMBL2565767 0.90
SCHEMBL909863 0.80 MEN1 (0.55) MEN1KMT2ALOXLOXL3LOXL2
SCHEMBL6895976 0.79
Hydrochloric Acid SCHEMBL6031018 0.78 MAPT (0.46) MEN1KMT2ALOXLOXL3LOXL2
SCHEMBL6933515 0.74
SCHEMBL28965040 0.74 MAPT (0.46) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL6289076 0.73
SCHEMBL22803092 0.73 MCL1 (0.65) KMT2AALDH1A1MAPTHSD17B10MCL1
SCHEMBL6289078 0.73
Hydrochloric Acid SCHEMBL30554054 0.72

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