SCHEMBL21155447

SCHEMBL21155447

CCOC(=O)c1[nH]cnc1C1CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHODH Q02127 1/20 0.41

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
SCHEMBL1186099 0.77 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31590423 0.76 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1417913 0.76 KDM4E (0.81) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21154842 0.75 GDA (0.37) KDM4EALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL4896898 0.75 ALDH1A1 (0.46) KDM4EALDH1A1KMT2ALMNAGAA
SCHEMBL21227043 0.74 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2491314 0.74 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3023145 0.74 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13815988 0.74 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL950248 0.74 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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
WO-2019134680-A1 INHIBITOR OF APOPTOSIS SIGNAL-REGULATING KINASE-1 AND APPLICATION THEREOF 广州市恒诺康医药科技有限公司 2019-07-11 WO disclosed