SCHEMBL28819624

SCHEMBL28819624

Cc1ccc(-c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.45
BRD4 O60885 6/20 0.45
PTAFR P25105 2/20 0.45
MAPT P10636 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL28819694 0.91 KDM4E (0.43) KDM4EHSD17B10BRD4PTAFRMAPT
SCHEMBL28819509 0.91 KDM4E (0.43) KDM4EHSD17B10BRD4PTAFRMAPT
SCHEMBL28819718 0.89 KDM4E (0.48) KDM4EHSD17B10TP53BRD4PTAFR
SCHEMBL28948657 0.89 KDM4E (0.48) KDM4EHSD17B10TP53PTAFRMAPT
SCHEMBL16569243 0.89 TP53 (0.51) KDM4EHSD17B10TP53PTAFRMAPT
SCHEMBL27747028 0.89 KDM4E (0.46) KDM4EHSD17B10PTAFRMAPTHTT
SCHEMBL28819753 0.88 KDM4E (0.46) KDM4EHSD17B10TP53BRD4PTAFR
SCHEMBL28819670 0.87 HSD17B10 (0.61) KDM4EHSD17B10TP53PTAFRMAPT
SCHEMBL28819529 0.87 MCHR1 (0.47) KDM4EHSD17B10TP53PTAFRMAPT
SCHEMBL28819674 0.87 MCHR1 (0.47) KDM4EHSD17B10PTAFRHTTALDH1A1

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