SCHEMBL28819490

SCHEMBL28819490

O=C(Cn1c(-c2ccc(-c3ccccc3)s2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 3/20 0.46
HTT P42858 1/20 0.46
PTAFR P25105 2/20 0.42
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CTSD P07339 1/20 0.39

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) KDM4EHSD17B10TSHRPTAFRUSP2
SCHEMBL16569243 0.84 TP53 (0.51) KDM4EHSD17B10TSHRPTAFRMAPT
SCHEMBL28819565 0.82 HSD17B10 (0.47) KDM4EHSD17B10TSHRPTAFRMAPT
SCHEMBL28819711 0.82 ALDH1A1 (0.44) KDM4EHSD17B10TSHRHTTPTAFR
SCHEMBL28819726 0.82 HSD17B10 (0.47) KDM4EHSD17B10TSHRPTAFRMAPT
SCHEMBL28819523 0.81 PTAFR (0.45) KDM4EHSD17B10TSHRHTTPTAFR
SCHEMBL27747026 0.81 MEN1 (0.45) KDM4EHSD17B10TSHRHTTPTAFR
SCHEMBL28819729 0.80 KDM4E (0.46) KDM4EHSD17B10TSHRHTTPTAFR
SCHEMBL28819659 0.80 PIN1 (0.52) KDM4EHSD17B10TSHRHTTMEN1
SCHEMBL28948669 0.80 KDM4E (0.49) KDM4EHSD17B10TSHRHTTPTAFR

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