SCHEMBL28819703

SCHEMBL28819703

CS(=O)(=O)c1ccc(-c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.53
PTAFR P25105 2/20 0.50
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 1/20 0.41
PPARG P37231 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
SCHEMBL28819670 0.88 HSD17B10 (0.61) PTAFRKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL28819621 0.86 PTAFR (0.49) PTAFRKDM4EHSD17B10HTTALDH1A1
SCHEMBL28819605 0.85 KDM4E (0.51) PTAFRKDM4EHSD17B10HTTALDH1A1
SCHEMBL28819716 0.85 ALDH1A1 (0.47) PTAFRKDM4EHSD17B10HTTALDH1A1
SCHEMBL28819494 0.85 CASR (0.51) NR1H4PTAFRKDM4EHSD17B10HTT
SCHEMBL28948669 0.85 KDM4E (0.49) PTAFRKDM4EHSD17B10HTTLMNA
SCHEMBL28819624 0.84 KDM4E (0.46) PTAFRKDM4EHSD17B10HTTALDH1A1
SCHEMBL28819587 0.84 KDM4E (0.48) PTAFRKDM4EHSD17B10HTTALDH1A1
SCHEMBL28819741 0.83 KDM4E (0.47) PTAFRKDM4EHSD17B10HTTALDH1A1
SCHEMBL28819659 0.83 PIN1 (0.52) KDM4EHSD17B10HTTALDH1A1HPGD

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