SCHEMBL28399752

SCHEMBL28399752

N#Cc1ccc(CC(=O)CC=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.50
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
HTT P42858 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.42
CYP2A6 P11509 1/20 0.42
GSK3B P49841 1/20 0.41
MAPK8 P45983 1/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
IDO1 P14902 2/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
RAB9A P51151 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL6937899 0.85 CTBP2 (0.59) CTBP2SAE1UBA2HTTLOXL2
SCHEMBL10332982 0.84 CA2 (0.39) HTTCA2
SCHEMBL28162772 0.81 CTBP2 (0.49) CTBP2SAE1UBA2HTTLOXL2
SCHEMBL13483247 0.79 CTBP2 (0.54) CTBP2SAE1UBA2HTTLOXL2
SCHEMBL16887632 0.78 CYP2A6 (0.55) CTBP2SAE1UBA2HTTLOXL2
SCHEMBL12374116 0.78 CTBP2 (0.53) CTBP2SAE1UBA2HTTLOXL2
SCHEMBL9641208 0.78 CTBP2 (0.57) CTBP2SAE1UBA2HTTSNCA
SCHEMBL6557829 0.77 CA2 (0.54) CTBP2CA2RAB9A
SCHEMBL9190571 0.76 NSD2 (0.55) CTBP2SAE1UBA2HTTLOXL2
SCHEMBL10275551 0.76 CTBP2 (0.56) CTBP2SAE1UBA2HTTLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187184-B Novel method for synthesizing sulfonyl ketoamide 盐城工学院 2022-04-08 CN claimed
CN-111187184-A Novel method for synthesizing sulfonyl ketoamide 盐城工学院 2020-05-22 CN claimed
CN-111187184-B Novel method for synthesizing sulfonyl ketoamide 盐城工学院 2022-04-08 CN disclosed
CN-111187184-A Novel method for synthesizing sulfonyl ketoamide 盐城工学院 2020-05-22 CN disclosed