SCHEMBL28045748

SCHEMBL28045748

CC(=O)c1cccc2ncc(C(=O)O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.53
KDM4C Q9H3R0 1/20 0.44
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MAP4K4 O95819 1/20 0.40
CSNK1G2 P78368 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
PSMD14 O00487 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HCAR3 P49019 1/20 0.39

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
SCHEMBL10465985 0.89 MGAM (0.57) MGAMALDH1A1HTTNPSR1HPGD
SCHEMBL11152987 0.88 MGAM (0.45) MGAMKDM4CALDH1A1HTTNPSR1
SCHEMBL9353615 0.81 MGAM (0.56) MGAMALDH1A1HTTNPSR1HPGD
Hydrochloric Acid SCHEMBL23112333 0.79 MGAM (0.54) MGAMALDH1A1HTTNPSR1HPGD
SCHEMBL2200090 0.79 MGAM (0.57) MGAMALDH1A1HTTNPSR1HPGD
SCHEMBL30251757 0.78 MGAM (0.56) MGAMALDH1A1HTTNPSR1HPGD
SCHEMBL4221331 0.78 MGAM (0.56) MGAMALDH1A1HTTNPSR1HPGD
SCHEMBL21241470 0.78 MGAM (0.56) MGAMALDH1A1HTTNPSR1HPGD
SCHEMBL29933753 0.78 MGAM (0.56) MGAMALDH1A1HTTNPSR1HPGD
SCHEMBL23359976 0.78 MGAM (0.56) MGAMALDH1A1HTTNPSR1HPGD

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-105198786-B Amides compound of aryl substitution and preparation method thereof, the pharmaceutical composition comprising it and its application 中国医学科学院医药生物技术研究所 2018-06-29 CN disclosed
CN-105198786-A Aryl-substituted amide compound, preparing method thereof, medicine composition comprising same, and application thereof INST MED BIOTECHNOLOGY CAMS 2015-12-30 CN disclosed