SCHEMBL28819494

SCHEMBL28819494

CC(C)c1ccc(-c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.51
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MCHR1 Q99705 1/20 0.47
PTAFR P25105 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL28819670 0.88 HSD17B10 (0.61) MAPTTP53GAALMNAKDM4E
SCHEMBL28819543 0.87 ALDH1A1 (0.46) MAPTTP53GAASMN1; SMN2LMNA
SCHEMBL28819621 0.87 PTAFR (0.49) MAPTSMN1; SMN2LMNAKDM4EHSD17B10
SCHEMBL28819674 0.86 MCHR1 (0.47) LMNAKDM4EHSD17B10MCHR1PTAFR
SCHEMBL28819716 0.86 ALDH1A1 (0.47) MAPTGAASMN1; SMN2LMNAKDM4E
SCHEMBL27747028 0.86 KDM4E (0.46) MAPTKDM4EHSD17B10PTAFRHTT
SCHEMBL28948669 0.86 KDM4E (0.49) MAPTLMNAKDM4EHSD17B10PTAFR
SCHEMBL28819703 0.85 NR1H4 (0.53) MAPTLMNAKDM4EHSD17B10PTAFR
SCHEMBL28819624 0.85 KDM4E (0.46) MAPTTP53SMN1; SMN2KDM4EHSD17B10
SCHEMBL28819587 0.85 KDM4E (0.48) KDM4EHSD17B10MCHR1PTAFRJAK2

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-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed