SCHEMBL28696161

SCHEMBL28696161

COC(=O)c1cccc(NCCN(C)C)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
GLA P06280 1/20 0.51
ALDH1A1 P00352 2/20 0.44
CFTR P13569 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
PTGER4 P35408 1/20 0.40
SYK P43405 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
CSF1R P07333 1/20 0.40
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
NCF1 P14598 1/20 0.39
RAD52 P43351 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
SCHEMBL6510127 0.85 KDM4E (0.69) KDM4EGLAALDH1A1HSD17B10KMT2A
SCHEMBL11956569 0.78 KMT2A (0.54) KDM4EALDH1A1HSD17B10KMT2APOLB
SCHEMBL18950890 0.77 KDM4E (0.47) KDM4EGLAALDH1A1CFTRHSD17B10
SCHEMBL940016 0.76 KDM4E (0.68) KDM4EGLAALDH1A1CFTRHSD17B10
SCHEMBL20692016 0.76 HSD17B10 (0.55) KDM4EGLAALDH1A1CFTRHSD17B10
SCHEMBL18950889 0.76 HSD17B10 (0.55) KDM4EGLAALDH1A1CFTRHSD17B10
SCHEMBL2102977 0.75 RAD52 (0.44) KDM4EGLAALDH1A1KMT2APOLB
SCHEMBL18474174 0.75 SYK (0.53) KDM4EGLAALDH1A1HSD17B10KMT2A
SCHEMBL2895994 0.75 ALDH1A1 (0.67) KDM4EGLAALDH1A1CFTRHSD17B10
SCHEMBL15808796 0.74 KDM4E (0.58) KDM4EALDH1A1CFTRHSD17B10KMT2A

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-113874019-A Combinations comprising benzodioxoles as GLP-1R agonists for the treatment of NASH/NAFLD and related diseases 辉瑞大药厂 2021-12-31 CN disclosed