SCHEMBL4280071

SCHEMBL4280071

CN(C)CCNC(=O)CN1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
DNM1 Q05193 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL13661121 0.90 ALDH1A1 (0.66) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL4574548 0.82 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2SIGMAR1DNM1
SCHEMBL2929473 0.78 ALDH1A1 (0.81) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL10223654 0.78 ALDH1A1 (0.74) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL4283848 0.78 ALDH1A1 (0.81) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL4578358 0.78 ALDH1A1 (0.81) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL31622466 0.78 DNM1 (0.42) ALDH1A1TDP1SMN1; SMN2L3MBTL1SIGMAR1
SCHEMBL2875261 0.77 ALDH1A1 (0.72) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL22170168 0.76 ALDH1A1 (0.70) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL4579798 0.76 ALDH1A1 (0.77) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR

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
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed