SCHEMBL27731982

SCHEMBL27731982

CC(=O)N1CCN(c2ccc(NC(=O)n3nccc3NC(=O)Cc3cccs3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
NPC1 O15118 6/20 0.57
POLB P06746 6/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NAMPT P43490 2/20 0.50
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GFER P55789 1/20 0.46
HTT P42858 1/20 0.45
CYP2C19 P33261 1/20 0.44
CASP6 P55212 1/20 0.43

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
SCHEMBL27732097 0.85 NAMPT (0.47) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL27711765 0.79 LMNA (0.50) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL4499303 0.78 DGAT1 (0.60) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL27732014 0.76 MAPT (0.51) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL27732011 0.75 MAPT (0.72) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL27731984 0.74 LMNA (0.53) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL27731979 0.74 NAMPT (0.49) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL27731980 0.73 DGAT1 (0.51) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL27732015 0.73 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL27711759 0.73 LMNA (0.59) MAPTALDH1A1KMT2AMEN1KDM4E

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
CN-101243058-A * oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-08-13 CN claimed
CN-101243058-A * oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-08-13 CN disclosed