SCHEMBL28819741

SCHEMBL28819741

C=Cc1ccc(-c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.43
PDE6D O43924 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTAFR P25105 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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) KDM4EHSD17B10TSHRLMNAPDE6D
SCHEMBL28948669 0.86 KDM4E (0.49) KDM4EHSD17B10TSHRLMNAPTAFR
SCHEMBL28819621 0.85 PTAFR (0.49) KDM4EHSD17B10TSHRLMNANPSR1
SCHEMBL28819587 0.85 KDM4E (0.48) KDM4EHSD17B10TSHRPTAFRALDH1A1
SCHEMBL28819659 0.84 PIN1 (0.52) KDM4EHSD17B10TSHRLMNAPDE6D
SCHEMBL28819716 0.84 ALDH1A1 (0.47) KDM4EHSD17B10TSHRLMNANPSR1
SCHEMBL28819667 0.84 KDM4E (0.47) KDM4EHSD17B10TSHRPTAFRALDH1A1
SCHEMBL28819494 0.84 CASR (0.51) KDM4EHSD17B10TSHRLMNAPTAFR
SCHEMBL27747028 0.84 KDM4E (0.46) KDM4EHSD17B10TSHRPTAFRHTT
SCHEMBL28819703 0.83 NR1H4 (0.53) KDM4EHSD17B10TSHRLMNAPTAFR

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