SCHEMBL28111819

SCHEMBL28111819

CCC(=O)c1ccc(N(C)C)nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.51
HPGDS O60760 1/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 2/20 0.36
KCNH2 Q12809 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL16865850 0.84 GSK3B (0.47) HCAR3HPGDSKDM4EALDH1A1ALOX15
SCHEMBL19049506 0.84 HCAR3 (0.55) HCAR3MAPTSMN1; SMN2L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL9670823 0.83 HCAR3 (0.45) HCAR3HPGDSSMN1; SMN2KDM4EALDH1A1
SCHEMBL28865950 0.83 HCAR3 (0.49) HCAR3HPGDSKDM4EALDH1A1ALOX15
SCHEMBL12734188 0.81 HCAR3 (0.49) HCAR3HPGDSMAPTSMN1; SMN2L3MBTL1
SCHEMBL23149714 0.80 KMT2A (0.43) HCAR3HPGDSMAPTSMN1; SMN2KDM4E
SCHEMBL30786543 0.80 KMT2A (0.43) HCAR3HPGDSMAPTSMN1; SMN2KDM4E
SCHEMBL185127 0.79 HCAR3 (0.65) HCAR3MAPTKDM4EALDH1A1ALOX15
SCHEMBL27855599 0.78 CA12 (0.50) HCAR3MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1778519 0.78 HCAR3 (0.46) HCAR3HPGDSMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106068265-A Dihydropyridone MGAT2 inhibitors for the treatment of metabolic disorders 百时美施贵宝公司 2016-11-02 CN disclosed