SCHEMBL29880870

SCHEMBL29880870

Cc1c(N2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)ccc2oc(C(=O)O)cc12

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.75
LMNA P02545 6/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 3/20 0.45
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 4/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HTR6 P50406 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL1889937 1.00 NR1H4 (0.75) NR1H4LMNAKMT2ATSHRHPGD
SCHEMBL29880659 0.96 NR1H4 (0.80) NR1H4LMNAKMT2ATSHRHPGD
SCHEMBL1894116 0.96 NR1H4 (0.80) NR1H4LMNAKMT2ATSHRHPGD
SCHEMBL29881075 0.92 NR1H4 (0.62) NR1H4LMNAKMT2ATSHRHPGD
SCHEMBL1883064 0.92 NR1H4 (0.62) NR1H4LMNAKMT2ATSHRHPGD
SCHEMBL1882207 0.89 NR1H4 (0.80) NR1H4LMNAKMT2ATSHRHPGD
SCHEMBL29881681 0.89 NR1H4 (0.80) NR1H4LMNAKMT2ATSHRHPGD
SCHEMBL1886278 0.88 NR1H4 (0.59) NR1H4LMNAKMT2ATSHRALDH1A1
SCHEMBL29880964 0.88 NR1H4 (0.59) NR1H4LMNAKMT2ATSHRALDH1A1
SCHEMBL1894860 0.88 NR1H4 (0.66) NR1H4LMNAKMT2ATSHRHPGD

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